USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 CYS SG : rot 180:sc= -0.101 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.18) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.351 USER MOD Single : A 41 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -150:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.07) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : B 41 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 2 4.876 11.587 -0.668 1.00 0.00 N ATOM 60 CA CYS A 2 4.517 12.858 -0.039 1.00 0.00 C ATOM 61 C CYS A 2 5.519 13.956 -0.439 1.00 0.00 C ATOM 62 O CYS A 2 6.711 13.692 -0.627 1.00 0.00 O ATOM 63 CB CYS A 2 4.428 12.709 1.492 1.00 0.00 C ATOM 64 SG CYS A 2 4.086 14.256 2.388 1.00 0.00 S ATOM 0 HA CYS A 2 3.531 13.155 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.646 11.988 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.367 12.293 1.858 1.00 0.00 H new ATOM 0 HG CYS A 2 4.030 14.015 3.664 1.00 0.00 H new ATOM 69 N MET A 3 5.026 15.193 -0.559 1.00 0.00 N ATOM 70 CA MET A 3 5.818 16.416 -0.726 1.00 0.00 C ATOM 71 C MET A 3 5.165 17.590 0.025 1.00 0.00 C ATOM 72 O MET A 3 4.001 17.520 0.435 1.00 0.00 O ATOM 73 CB MET A 3 6.058 16.709 -2.220 1.00 0.00 C ATOM 74 CG MET A 3 4.801 17.063 -3.029 1.00 0.00 C ATOM 75 SD MET A 3 4.183 18.762 -2.835 1.00 0.00 S ATOM 76 CE MET A 3 2.843 18.730 -4.054 1.00 0.00 C ATOM 0 H MET A 3 4.023 15.377 -0.542 1.00 0.00 H new ATOM 0 HA MET A 3 6.802 16.271 -0.279 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.767 17.533 -2.303 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.528 15.837 -2.674 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.012 16.892 -4.085 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.005 16.373 -2.747 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.346 19.700 -4.073 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.253 18.513 -5.040 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.123 17.958 -3.783 1.00 0.00 H new ATOM 86 N ALA A 4 5.928 18.661 0.222 1.00 0.00 N ATOM 87 CA ALA A 4 5.508 19.851 0.963 1.00 0.00 C ATOM 88 C ALA A 4 6.040 21.140 0.313 1.00 0.00 C ATOM 89 O ALA A 4 6.707 21.093 -0.726 1.00 0.00 O ATOM 90 CB ALA A 4 6.009 19.683 2.403 1.00 0.00 C ATOM 0 H ALA A 4 6.880 18.729 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 4 4.422 19.947 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.717 20.551 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.571 18.784 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.095 19.594 2.402 1.00 0.00 H new ATOM 96 N LYS A 5 5.800 22.297 0.945 1.00 0.00 N ATOM 97 CA LYS A 5 6.504 23.555 0.646 1.00 0.00 C ATOM 98 C LYS A 5 7.256 24.114 1.857 1.00 0.00 C ATOM 99 O LYS A 5 6.793 24.010 2.993 1.00 0.00 O ATOM 100 CB LYS A 5 5.565 24.579 -0.015 1.00 0.00 C ATOM 101 CG LYS A 5 4.484 25.162 0.909 1.00 0.00 C ATOM 102 CD LYS A 5 3.744 26.306 0.203 1.00 0.00 C ATOM 103 CE LYS A 5 2.721 26.976 1.134 1.00 0.00 C ATOM 104 NZ LYS A 5 2.138 28.182 0.500 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.105 22.388 1.686 1.00 0.00 H new ATOM 0 HA LYS A 5 7.279 23.327 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.166 25.399 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.077 24.105 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.777 24.382 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.940 25.527 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.464 27.048 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.235 25.921 -0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.928 26.269 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.203 27.251 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.654 28.754 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.895 28.745 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.455 27.895 -0.230 1.00 0.00 H new ATOM 118 N VAL A 6 8.406 24.740 1.614 1.00 0.00 N ATOM 119 CA VAL A 6 9.130 25.560 2.600 1.00 0.00 C ATOM 120 C VAL A 6 8.672 27.013 2.521 1.00 0.00 C ATOM 121 O VAL A 6 8.409 27.524 1.430 1.00 0.00 O ATOM 122 CB VAL A 6 10.655 25.428 2.412 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.483 26.500 3.137 1.00 0.00 C ATOM 124 CG2 VAL A 6 11.092 24.068 2.956 1.00 0.00 C ATOM 0 H VAL A 6 8.875 24.694 0.709 1.00 0.00 H new ATOM 0 HA VAL A 6 8.897 25.193 3.599 1.00 0.00 H new ATOM 0 HB VAL A 6 10.839 25.548 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.543 26.330 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.203 27.487 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.291 26.445 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.169 23.956 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.840 24.001 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.579 23.276 2.410 1.00 0.00 H new ATOM 134 N VAL A 7 8.629 27.691 3.668 1.00 0.00 N ATOM 135 CA VAL A 7 8.426 29.142 3.785 1.00 0.00 C ATOM 136 C VAL A 7 9.443 29.757 4.758 1.00 0.00 C ATOM 137 O VAL A 7 9.743 29.193 5.819 1.00 0.00 O ATOM 138 CB VAL A 7 6.957 29.474 4.131 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.489 28.914 5.479 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.708 30.979 4.134 1.00 0.00 C ATOM 0 H VAL A 7 8.738 27.234 4.573 1.00 0.00 H new ATOM 0 HA VAL A 7 8.613 29.605 2.816 1.00 0.00 H new ATOM 0 HB VAL A 7 6.380 28.988 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.448 29.191 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.579 27.828 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.107 29.325 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.665 31.175 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.352 31.453 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.930 31.386 3.148 1.00 0.00 H new ATOM 150 N LEU A 8 9.991 30.913 4.388 1.00 0.00 N ATOM 151 CA LEU A 8 10.950 31.709 5.159 1.00 0.00 C ATOM 152 C LEU A 8 10.776 33.203 4.853 1.00 0.00 C ATOM 153 O LEU A 8 10.194 33.567 3.828 1.00 0.00 O ATOM 154 CB LEU A 8 12.383 31.200 4.882 1.00 0.00 C ATOM 155 CG LEU A 8 12.911 31.447 3.452 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.759 32.726 3.364 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.789 30.290 2.983 1.00 0.00 C ATOM 0 H LEU A 8 9.766 31.345 3.492 1.00 0.00 H new ATOM 0 HA LEU A 8 10.762 31.590 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.062 31.677 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.415 30.129 5.082 1.00 0.00 H new ATOM 0 HG LEU A 8 12.028 31.544 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.110 32.860 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.154 33.584 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.616 32.641 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.147 30.491 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.640 30.184 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.208 29.368 2.985 1.00 0.00 H new ATOM 265 N VAL A 16 9.701 34.328 1.112 1.00 0.00 N ATOM 266 CA VAL A 16 10.218 33.409 0.085 1.00 0.00 C ATOM 267 C VAL A 16 9.650 32.007 0.316 1.00 0.00 C ATOM 268 O VAL A 16 9.558 31.555 1.461 1.00 0.00 O ATOM 269 CB VAL A 16 11.764 33.402 0.078 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.347 32.421 -0.941 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.352 34.788 -0.222 1.00 0.00 C ATOM 0 HA VAL A 16 9.895 33.754 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 16 12.041 33.089 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.436 32.459 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.011 31.411 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.011 32.693 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.440 34.731 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.012 35.123 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.022 35.496 0.538 1.00 0.00 H new ATOM 281 N GLU A 17 9.262 31.312 -0.757 1.00 0.00 N ATOM 282 CA GLU A 17 8.652 29.973 -0.718 1.00 0.00 C ATOM 283 C GLU A 17 9.231 29.041 -1.795 1.00 0.00 C ATOM 284 O GLU A 17 9.561 29.482 -2.899 1.00 0.00 O ATOM 285 CB GLU A 17 7.119 30.060 -0.849 1.00 0.00 C ATOM 286 CG GLU A 17 6.451 30.770 0.335 1.00 0.00 C ATOM 287 CD GLU A 17 4.924 30.862 0.207 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.362 31.940 0.519 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.259 29.867 -0.175 1.00 0.00 O1- ATOM 0 H GLU A 17 9.365 31.673 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 17 8.896 29.542 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.869 30.588 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.711 29.053 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.700 30.240 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.862 31.775 0.425 1.00 0.00 H new ATOM 296 N ILE A 18 9.330 27.743 -1.478 1.00 0.00 N ATOM 297 CA ILE A 18 9.816 26.670 -2.368 1.00 0.00 C ATOM 298 C ILE A 18 8.810 25.520 -2.338 1.00 0.00 C ATOM 299 O ILE A 18 8.578 24.954 -1.273 1.00 0.00 O ATOM 300 CB ILE A 18 11.213 26.164 -1.922 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.287 27.268 -1.936 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.680 24.980 -2.794 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.483 26.910 -1.046 1.00 0.00 C ATOM 0 H ILE A 18 9.064 27.393 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 18 9.913 27.062 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 18 11.094 25.834 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.630 27.429 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.849 28.206 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.662 24.646 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.968 24.160 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.741 25.297 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.218 27.714 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.145 26.775 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.938 25.986 -1.402 1.00 0.00 H new ATOM 315 N GLY A 19 8.236 25.157 -3.487 1.00 0.00 N ATOM 316 CA GLY A 19 7.284 24.046 -3.619 1.00 0.00 C ATOM 317 C GLY A 19 7.929 22.692 -3.948 1.00 0.00 C ATOM 318 O GLY A 19 9.127 22.605 -4.234 1.00 0.00 O ATOM 0 H GLY A 19 8.422 25.634 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.724 23.951 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.565 24.291 -4.400 1.00 0.00 H new ATOM 322 N ASP A 20 7.110 21.634 -3.949 1.00 0.00 N ATOM 323 CA ASP A 20 7.465 20.262 -4.357 1.00 0.00 C ATOM 324 C ASP A 20 8.672 19.663 -3.596 1.00 0.00 C ATOM 325 O ASP A 20 9.502 18.953 -4.169 1.00 0.00 O ATOM 326 CB ASP A 20 7.601 20.172 -5.894 1.00 0.00 C ATOM 327 CG ASP A 20 6.430 20.784 -6.686 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.662 21.297 -7.810 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.262 20.734 -6.233 1.00 0.00 O1- ATOM 0 H ASP A 20 6.137 21.710 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 20 6.636 19.621 -4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.523 20.672 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.702 19.124 -6.174 1.00 0.00 H new ATOM 334 N VAL A 21 8.806 19.983 -2.309 1.00 0.00 N ATOM 335 CA VAL A 21 9.938 19.607 -1.445 1.00 0.00 C ATOM 336 C VAL A 21 9.853 18.145 -0.992 1.00 0.00 C ATOM 337 O VAL A 21 8.839 17.717 -0.434 1.00 0.00 O ATOM 338 CB VAL A 21 10.013 20.564 -0.235 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.136 20.187 0.729 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.251 22.005 -0.697 1.00 0.00 C ATOM 0 H VAL A 21 8.104 20.533 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 21 10.855 19.700 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 21 9.056 20.480 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.150 20.888 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.969 19.178 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.092 20.226 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.300 22.662 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.190 22.060 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.432 22.320 -1.344 1.00 0.00 H new ATOM 350 N LEU A 22 10.936 17.386 -1.203 1.00 0.00 N ATOM 351 CA LEU A 22 11.127 16.010 -0.713 1.00 0.00 C ATOM 352 C LEU A 22 11.794 15.953 0.672 1.00 0.00 C ATOM 353 O LEU A 22 11.492 15.050 1.449 1.00 0.00 O ATOM 354 CB LEU A 22 11.975 15.221 -1.731 1.00 0.00 C ATOM 355 CG LEU A 22 11.279 14.906 -3.069 1.00 0.00 C ATOM 356 CD1 LEU A 22 12.263 14.133 -3.954 1.00 0.00 C ATOM 357 CD2 LEU A 22 10.022 14.044 -2.914 1.00 0.00 C ATOM 0 H LEU A 22 11.735 17.724 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 22 10.138 15.564 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.883 15.787 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.283 14.282 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 22 10.977 15.859 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.789 13.900 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.150 14.741 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.550 13.207 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.583 13.861 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.288 13.093 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.300 14.564 -2.285 1.00 0.00 H new ATOM 369 N GLU A 23 12.674 16.904 1.005 1.00 0.00 N ATOM 370 CA GLU A 23 13.281 17.009 2.344 1.00 0.00 C ATOM 371 C GLU A 23 13.765 18.429 2.691 1.00 0.00 C ATOM 372 O GLU A 23 14.155 19.211 1.817 1.00 0.00 O ATOM 373 CB GLU A 23 14.404 15.967 2.543 1.00 0.00 C ATOM 374 CG GLU A 23 15.629 16.147 1.632 1.00 0.00 C ATOM 375 CD GLU A 23 16.660 15.030 1.861 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.730 15.305 2.463 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.413 13.876 1.436 1.00 0.00 O1- ATOM 0 H GLU A 23 12.988 17.625 0.356 1.00 0.00 H new ATOM 0 HA GLU A 23 12.481 16.785 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.734 16.005 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.990 14.973 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.313 16.146 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.090 17.116 1.825 1.00 0.00 H new ATOM 384 N VAL A 24 13.766 18.728 3.996 1.00 0.00 N ATOM 385 CA VAL A 24 14.279 19.957 4.632 1.00 0.00 C ATOM 386 C VAL A 24 15.248 19.572 5.751 1.00 0.00 C ATOM 387 O VAL A 24 14.962 18.653 6.520 1.00 0.00 O ATOM 388 CB VAL A 24 13.141 20.824 5.216 1.00 0.00 C ATOM 389 CG1 VAL A 24 13.659 22.190 5.684 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.014 21.070 4.210 1.00 0.00 C ATOM 0 H VAL A 24 13.385 18.079 4.684 1.00 0.00 H new ATOM 0 HA VAL A 24 14.786 20.546 3.868 1.00 0.00 H new ATOM 0 HB VAL A 24 12.750 20.257 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.832 22.773 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.415 22.047 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.099 22.721 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.241 21.684 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.412 21.585 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.585 20.116 3.904 1.00 0.00 H new ATOM 400 N ARG A 25 16.378 20.267 5.882 1.00 0.00 N ATOM 401 CA ARG A 25 17.432 19.928 6.854 1.00 0.00 C ATOM 402 C ARG A 25 18.146 21.158 7.405 1.00 0.00 C ATOM 403 O ARG A 25 18.731 21.920 6.643 1.00 0.00 O ATOM 404 CB ARG A 25 18.427 18.926 6.225 1.00 0.00 C ATOM 405 CG ARG A 25 18.848 19.268 4.780 1.00 0.00 C ATOM 406 CD ARG A 25 19.980 18.385 4.240 1.00 0.00 C ATOM 407 NE ARG A 25 19.576 16.968 4.114 1.00 0.00 N ATOM 408 CZ ARG A 25 20.091 15.926 4.735 1.00 0.00 C ATOM 409 NH1 ARG A 25 20.985 16.013 5.683 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.674 14.744 4.395 1.00 0.00 N ATOM 0 H ARG A 25 16.595 21.087 5.316 1.00 0.00 H new ATOM 0 HA ARG A 25 16.951 19.456 7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.319 18.879 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.978 17.933 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.981 19.171 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 25 19.163 20.311 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.296 18.758 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.842 18.457 4.903 1.00 0.00 H new ATOM 0 HE ARG A 25 18.808 16.774 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.324 16.927 5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 25 21.344 15.167 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.968 14.642 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.053 13.917 4.857 1.00 0.00 H new ATOM 424 N ALA A 26 18.143 21.330 8.724 1.00 0.00 N ATOM 425 CA ALA A 26 19.087 22.214 9.399 1.00 0.00 C ATOM 426 C ALA A 26 20.437 21.498 9.575 1.00 0.00 C ATOM 427 O ALA A 26 20.500 20.306 9.892 1.00 0.00 O ATOM 428 CB ALA A 26 18.496 22.673 10.734 1.00 0.00 C ATOM 0 H ALA A 26 17.489 20.863 9.352 1.00 0.00 H new ATOM 0 HA ALA A 26 19.266 23.103 8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.203 23.333 11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.564 23.208 10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.300 21.805 11.363 1.00 0.00 H new ATOM 434 N GLU A 27 21.520 22.231 9.356 1.00 0.00 N ATOM 435 CA GLU A 27 22.913 21.768 9.398 1.00 0.00 C ATOM 436 C GLU A 27 23.785 22.744 10.228 1.00 0.00 C ATOM 437 O GLU A 27 23.255 23.620 10.918 1.00 0.00 O ATOM 438 CB GLU A 27 23.424 21.593 7.946 1.00 0.00 C ATOM 439 CG GLU A 27 22.648 20.568 7.088 1.00 0.00 C ATOM 440 CD GLU A 27 22.685 19.119 7.620 1.00 0.00 C ATOM 441 OE1 GLU A 27 23.534 18.776 8.479 1.00 0.00 O ATOM 442 OE2 GLU A 27 21.872 18.276 7.164 1.00 0.00 O1- ATOM 0 H GLU A 27 21.453 23.224 9.131 1.00 0.00 H new ATOM 0 HA GLU A 27 22.978 20.802 9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.387 22.561 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.471 21.293 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.608 20.888 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.055 20.579 6.077 1.00 0.00 H new ATOM 449 N GLY A 28 25.116 22.602 10.200 1.00 0.00 N ATOM 450 CA GLY A 28 26.061 23.303 11.091 1.00 0.00 C ATOM 451 C GLY A 28 26.070 24.843 11.036 1.00 0.00 C ATOM 452 O GLY A 28 26.627 25.478 11.933 1.00 0.00 O ATOM 0 H GLY A 28 25.583 21.980 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.845 23.003 12.116 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.067 22.951 10.861 1.00 0.00 H new ATOM 456 N GLY A 29 25.436 25.462 10.034 1.00 0.00 N ATOM 457 CA GLY A 29 25.246 26.921 9.941 1.00 0.00 C ATOM 458 C GLY A 29 24.231 27.391 8.888 1.00 0.00 C ATOM 459 O GLY A 29 24.301 28.541 8.449 1.00 0.00 O ATOM 0 H GLY A 29 25.031 24.956 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.929 27.291 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 29 26.209 27.382 9.723 1.00 0.00 H new ATOM 463 N ALA A 30 23.319 26.519 8.457 1.00 0.00 N ATOM 464 CA ALA A 30 22.383 26.765 7.356 1.00 0.00 C ATOM 465 C ALA A 30 21.171 25.817 7.406 1.00 0.00 C ATOM 466 O ALA A 30 21.210 24.772 8.059 1.00 0.00 O ATOM 467 CB ALA A 30 23.138 26.582 6.029 1.00 0.00 C ATOM 0 H ALA A 30 23.207 25.595 8.875 1.00 0.00 H new ATOM 0 HA ALA A 30 21.998 27.781 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.458 26.761 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.965 27.290 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.526 25.565 5.969 1.00 0.00 H new ATOM 473 N VAL A 31 20.125 26.142 6.641 1.00 0.00 N ATOM 474 CA VAL A 31 19.108 25.170 6.202 1.00 0.00 C ATOM 475 C VAL A 31 19.265 24.874 4.711 1.00 0.00 C ATOM 476 O VAL A 31 19.512 25.786 3.915 1.00 0.00 O ATOM 477 CB VAL A 31 17.673 25.628 6.543 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.589 24.744 5.908 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.453 25.579 8.059 1.00 0.00 C ATOM 0 H VAL A 31 19.955 27.090 6.305 1.00 0.00 H new ATOM 0 HA VAL A 31 19.273 24.246 6.756 1.00 0.00 H new ATOM 0 HB VAL A 31 17.584 26.639 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.604 25.119 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.692 24.765 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.701 23.720 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.438 25.904 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.598 24.559 8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.166 26.240 8.552 1.00 0.00 H new ATOM 489 N ARG A 32 19.095 23.607 4.320 1.00 0.00 N ATOM 490 CA ARG A 32 19.073 23.143 2.922 1.00 0.00 C ATOM 491 C ARG A 32 17.753 22.438 2.588 1.00 0.00 C ATOM 492 O ARG A 32 17.134 21.817 3.459 1.00 0.00 O ATOM 493 CB ARG A 32 20.316 22.276 2.633 1.00 0.00 C ATOM 494 CG ARG A 32 21.612 23.106 2.691 1.00 0.00 C ATOM 495 CD ARG A 32 22.884 22.247 2.708 1.00 0.00 C ATOM 496 NE ARG A 32 23.068 21.459 1.474 1.00 0.00 N ATOM 497 CZ ARG A 32 24.173 20.864 1.067 1.00 0.00 C ATOM 498 NH1 ARG A 32 25.288 20.910 1.737 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 24.161 20.206 -0.051 1.00 0.00 N ATOM 0 H ARG A 32 18.964 22.847 4.988 1.00 0.00 H new ATOM 0 HA ARG A 32 19.122 24.006 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.371 21.464 3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.220 21.818 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.645 23.775 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.594 23.733 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.750 22.894 2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.847 21.570 3.562 1.00 0.00 H new ATOM 0 HE ARG A 32 22.252 21.364 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.333 21.422 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.117 20.434 1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.305 20.154 -0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.008 19.741 -0.378 1.00 0.00 H new ATOM 513 N VAL A 33 17.316 22.563 1.334 1.00 0.00 N ATOM 514 CA VAL A 33 15.984 22.160 0.838 1.00 0.00 C ATOM 515 C VAL A 33 16.120 21.488 -0.529 1.00 0.00 C ATOM 516 O VAL A 33 16.685 22.095 -1.439 1.00 0.00 O ATOM 517 CB VAL A 33 15.045 23.379 0.717 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.622 22.965 0.315 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.950 24.187 2.018 1.00 0.00 C ATOM 0 H VAL A 33 17.899 22.964 0.599 1.00 0.00 H new ATOM 0 HA VAL A 33 15.554 21.459 1.554 1.00 0.00 H new ATOM 0 HB VAL A 33 15.489 24.002 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.992 23.852 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.649 22.457 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.213 22.292 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.276 25.032 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.567 23.550 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.939 24.555 2.291 1.00 0.00 H new ATOM 529 N THR A 34 15.576 20.280 -0.703 1.00 0.00 N ATOM 530 CA THR A 34 15.680 19.505 -1.958 1.00 0.00 C ATOM 531 C THR A 34 14.297 19.176 -2.530 1.00 0.00 C ATOM 532 O THR A 34 13.400 18.721 -1.814 1.00 0.00 O ATOM 533 CB THR A 34 16.521 18.234 -1.762 1.00 0.00 C ATOM 534 OG1 THR A 34 17.825 18.589 -1.347 1.00 0.00 O ATOM 535 CG2 THR A 34 16.672 17.417 -3.048 1.00 0.00 C ATOM 0 H THR A 34 15.045 19.802 0.025 1.00 0.00 H new ATOM 0 HA THR A 34 16.195 20.131 -2.687 1.00 0.00 H new ATOM 0 HB THR A 34 15.998 17.633 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.360 17.778 -1.221 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.275 16.532 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.688 17.112 -3.403 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.161 18.024 -3.810 1.00 0.00 H new ATOM 543 N THR A 35 14.117 19.398 -3.833 1.00 0.00 N ATOM 544 CA THR A 35 12.836 19.247 -4.555 1.00 0.00 C ATOM 545 C THR A 35 12.684 17.912 -5.293 1.00 0.00 C ATOM 546 O THR A 35 13.643 17.168 -5.505 1.00 0.00 O ATOM 547 CB THR A 35 12.631 20.395 -5.557 1.00 0.00 C ATOM 548 OG1 THR A 35 13.554 20.291 -6.613 1.00 0.00 O ATOM 549 CG2 THR A 35 12.747 21.792 -4.935 1.00 0.00 C ATOM 0 H THR A 35 14.879 19.698 -4.442 1.00 0.00 H new ATOM 0 HA THR A 35 12.072 19.274 -3.778 1.00 0.00 H new ATOM 0 HB THR A 35 11.608 20.288 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.462 20.415 -6.267 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.590 22.547 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.994 21.907 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.740 21.916 -4.502 1.00 0.00 H new ATOM 557 N LEU A 36 11.454 17.645 -5.746 1.00 0.00 N ATOM 558 CA LEU A 36 11.029 16.528 -6.597 1.00 0.00 C ATOM 559 C LEU A 36 11.831 16.387 -7.910 1.00 0.00 C ATOM 560 O LEU A 36 11.939 15.287 -8.452 1.00 0.00 O ATOM 561 CB LEU A 36 9.530 16.767 -6.862 1.00 0.00 C ATOM 562 CG LEU A 36 8.809 15.774 -7.798 1.00 0.00 C ATOM 563 CD1 LEU A 36 8.853 14.341 -7.271 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.339 16.178 -7.932 1.00 0.00 C ATOM 0 H LEU A 36 10.669 18.251 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 36 11.217 15.581 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.013 16.762 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.417 17.767 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 36 9.325 15.808 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.332 13.682 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.890 14.020 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.368 14.297 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.828 15.478 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.866 16.161 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.274 17.183 -8.349 1.00 0.00 H new ATOM 576 N PHE A 37 12.422 17.480 -8.404 1.00 0.00 N ATOM 577 CA PHE A 37 13.163 17.547 -9.674 1.00 0.00 C ATOM 578 C PHE A 37 14.690 17.610 -9.485 1.00 0.00 C ATOM 579 O PHE A 37 15.426 17.996 -10.399 1.00 0.00 O ATOM 580 CB PHE A 37 12.577 18.679 -10.531 1.00 0.00 C ATOM 581 CG PHE A 37 11.079 18.542 -10.715 1.00 0.00 C ATOM 582 CD1 PHE A 37 10.572 17.546 -11.574 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.194 19.342 -9.963 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.187 17.335 -11.656 1.00 0.00 C ATOM 585 CE2 PHE A 37 8.805 19.131 -10.060 1.00 0.00 C ATOM 586 CZ PHE A 37 8.300 18.119 -10.893 1.00 0.00 C ATOM 0 H PHE A 37 12.398 18.375 -7.916 1.00 0.00 H new ATOM 0 HA PHE A 37 13.027 16.613 -10.219 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.797 19.638 -10.063 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.062 18.682 -11.507 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.247 16.947 -12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.580 20.114 -9.314 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.799 16.567 -12.308 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.126 19.749 -9.492 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.236 17.943 -10.948 1.00 0.00 H new ATOM 596 N ASP A 38 15.180 17.237 -8.294 1.00 0.00 N ATOM 597 CA ASP A 38 16.590 17.235 -7.868 1.00 0.00 C ATOM 598 C ASP A 38 17.271 18.625 -7.855 1.00 0.00 C ATOM 599 O ASP A 38 18.494 18.726 -7.726 1.00 0.00 O ATOM 600 CB ASP A 38 17.417 16.171 -8.626 1.00 0.00 C ATOM 601 CG ASP A 38 16.820 14.748 -8.612 1.00 0.00 C ATOM 602 OD1 ASP A 38 16.155 14.348 -7.619 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.061 13.991 -9.586 1.00 0.00 O1- ATOM 0 H ASP A 38 14.562 16.907 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 38 16.566 16.947 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.530 16.491 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.417 16.133 -8.193 1.00 0.00 H new ATOM 608 N GLU A 39 16.499 19.715 -7.935 1.00 0.00 N ATOM 609 CA GLU A 39 16.982 21.070 -7.634 1.00 0.00 C ATOM 610 C GLU A 39 17.095 21.273 -6.115 1.00 0.00 C ATOM 611 O GLU A 39 16.288 20.751 -5.338 1.00 0.00 O ATOM 612 CB GLU A 39 16.084 22.147 -8.268 1.00 0.00 C ATOM 613 CG GLU A 39 15.987 22.082 -9.805 1.00 0.00 C ATOM 614 CD GLU A 39 17.343 22.232 -10.523 1.00 0.00 C ATOM 615 OE1 GLU A 39 18.257 22.922 -10.004 1.00 0.00 O ATOM 616 OE2 GLU A 39 17.503 21.677 -11.637 1.00 0.00 O1- ATOM 0 H GLU A 39 15.518 19.683 -8.211 1.00 0.00 H new ATOM 0 HA GLU A 39 17.974 21.176 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.081 22.057 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.461 23.129 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.539 21.131 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.315 22.868 -10.150 1.00 0.00 H new ATOM 623 N GLU A 40 18.092 22.049 -5.690 1.00 0.00 N ATOM 624 CA GLU A 40 18.417 22.280 -4.275 1.00 0.00 C ATOM 625 C GLU A 40 18.618 23.773 -3.973 1.00 0.00 C ATOM 626 O GLU A 40 19.181 24.517 -4.782 1.00 0.00 O ATOM 627 CB GLU A 40 19.654 21.447 -3.887 1.00 0.00 C ATOM 628 CG GLU A 40 20.070 21.605 -2.415 1.00 0.00 C ATOM 629 CD GLU A 40 21.230 20.686 -1.989 1.00 0.00 C ATOM 630 OE1 GLU A 40 21.944 20.100 -2.840 1.00 0.00 O ATOM 631 OE2 GLU A 40 21.490 20.583 -0.766 1.00 0.00 O1- ATOM 0 H GLU A 40 18.711 22.547 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 40 17.573 21.955 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 40 19.450 20.395 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 20.490 21.736 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.358 22.641 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.207 21.402 -1.781 1.00 0.00 H new ATOM 638 N HIS A 41 18.187 24.191 -2.779 1.00 0.00 N ATOM 639 CA HIS A 41 18.331 25.549 -2.241 1.00 0.00 C ATOM 640 C HIS A 41 19.046 25.509 -0.881 1.00 0.00 C ATOM 641 O HIS A 41 18.916 24.532 -0.139 1.00 0.00 O ATOM 642 CB HIS A 41 16.943 26.208 -2.124 1.00 0.00 C ATOM 643 CG HIS A 41 16.132 26.183 -3.395 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.171 27.145 -4.409 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.274 25.186 -3.766 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.321 26.711 -5.358 1.00 0.00 C ATOM 647 NE2 HIS A 41 14.773 25.534 -4.999 1.00 0.00 N ATOM 0 H HIS A 41 17.707 23.565 -2.132 1.00 0.00 H new ATOM 0 HA HIS A 41 18.940 26.147 -2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.380 25.704 -1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.071 27.244 -1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.036 24.297 -3.201 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.108 27.234 -6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.103 24.994 -5.547 1.00 0.00 H new ATOM 655 N ALA A 42 19.783 26.571 -0.552 1.00 0.00 N ATOM 656 CA ALA A 42 20.541 26.707 0.693 1.00 0.00 C ATOM 657 C ALA A 42 20.453 28.135 1.263 1.00 0.00 C ATOM 658 O ALA A 42 20.514 29.118 0.515 1.00 0.00 O ATOM 659 CB ALA A 42 21.998 26.293 0.432 1.00 0.00 C ATOM 0 H ALA A 42 19.872 27.384 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 42 20.108 26.051 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.574 26.390 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.027 25.257 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.428 26.938 -0.335 1.00 0.00 H new ATOM 665 N PHE A 43 20.320 28.233 2.587 1.00 0.00 N ATOM 666 CA PHE A 43 20.085 29.481 3.330 1.00 0.00 C ATOM 667 C PHE A 43 20.923 29.517 4.617 1.00 0.00 C ATOM 668 O PHE A 43 20.559 28.859 5.599 1.00 0.00 O ATOM 669 CB PHE A 43 18.583 29.597 3.650 1.00 0.00 C ATOM 670 CG PHE A 43 17.685 29.584 2.430 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.511 30.753 1.667 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.061 28.386 2.029 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.721 30.727 0.504 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.275 28.360 0.865 1.00 0.00 C ATOM 675 CZ PHE A 43 16.111 29.528 0.099 1.00 0.00 C ATOM 0 H PHE A 43 20.374 27.418 3.197 1.00 0.00 H new ATOM 0 HA PHE A 43 20.391 30.330 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 43 18.298 28.774 4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.411 30.520 4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.985 31.673 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.187 27.488 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.583 31.627 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.796 27.442 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.515 29.503 -0.802 1.00 0.00 H new ATOM 685 N PRO A 44 22.046 30.259 4.648 1.00 0.00 N ATOM 686 CA PRO A 44 22.879 30.382 5.845 1.00 0.00 C ATOM 687 C PRO A 44 22.166 31.152 6.966 1.00 0.00 C ATOM 688 O PRO A 44 21.417 32.101 6.721 1.00 0.00 O ATOM 689 CB PRO A 44 24.167 31.074 5.379 1.00 0.00 C ATOM 690 CG PRO A 44 23.717 31.899 4.180 1.00 0.00 C ATOM 691 CD PRO A 44 22.618 31.042 3.557 1.00 0.00 C ATOM 0 HA PRO A 44 23.097 29.408 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.590 31.703 6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.934 30.350 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.342 32.877 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.536 32.074 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.858 31.665 3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.023 30.392 2.782 1.00 0.00 H new ATOM 699 N GLY A 45 22.406 30.745 8.214 1.00 0.00 N ATOM 700 CA GLY A 45 21.883 31.402 9.412 1.00 0.00 C ATOM 701 C GLY A 45 20.406 31.118 9.726 1.00 0.00 C ATOM 702 O GLY A 45 19.815 31.841 10.528 1.00 0.00 O ATOM 0 H GLY A 45 22.983 29.930 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.485 31.094 10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.013 32.479 9.302 1.00 0.00 H new ATOM 706 N LEU A 46 19.801 30.089 9.122 1.00 0.00 N ATOM 707 CA LEU A 46 18.452 29.602 9.461 1.00 0.00 C ATOM 708 C LEU A 46 18.475 28.272 10.244 1.00 0.00 C ATOM 709 O LEU A 46 19.474 27.549 10.263 1.00 0.00 O ATOM 710 CB LEU A 46 17.592 29.460 8.185 1.00 0.00 C ATOM 711 CG LEU A 46 17.355 30.753 7.375 1.00 0.00 C ATOM 712 CD1 LEU A 46 16.311 30.487 6.291 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.829 31.916 8.220 1.00 0.00 C ATOM 0 H LEU A 46 20.240 29.559 8.369 1.00 0.00 H new ATOM 0 HA LEU A 46 18.005 30.348 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.067 28.729 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.622 29.051 8.469 1.00 0.00 H new ATOM 0 HG LEU A 46 18.326 31.033 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.142 31.398 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.669 29.701 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.377 30.172 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.686 32.791 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.878 31.636 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.549 32.150 9.004 1.00 0.00 H new ATOM 725 N ALA A 47 17.333 27.959 10.858 1.00 0.00 N ATOM 726 CA ALA A 47 16.959 26.677 11.462 1.00 0.00 C ATOM 727 C ALA A 47 15.454 26.403 11.230 1.00 0.00 C ATOM 728 O ALA A 47 14.699 27.316 10.878 1.00 0.00 O ATOM 729 CB ALA A 47 17.328 26.713 12.956 1.00 0.00 C ATOM 0 H ALA A 47 16.587 28.648 10.954 1.00 0.00 H new ATOM 0 HA ALA A 47 17.503 25.855 10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.056 25.765 13.421 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.401 26.874 13.062 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.789 27.525 13.444 1.00 0.00 H new ATOM 735 N ILE A 48 15.000 25.158 11.413 1.00 0.00 N ATOM 736 CA ILE A 48 13.582 24.783 11.248 1.00 0.00 C ATOM 737 C ILE A 48 12.789 25.179 12.510 1.00 0.00 C ATOM 738 O ILE A 48 13.143 24.766 13.619 1.00 0.00 O ATOM 739 CB ILE A 48 13.425 23.282 10.905 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.235 22.897 9.649 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.933 22.944 10.717 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.285 21.391 9.364 1.00 0.00 C ATOM 0 H ILE A 48 15.601 24.379 11.680 1.00 0.00 H new ATOM 0 HA ILE A 48 13.170 25.332 10.401 1.00 0.00 H new ATOM 0 HB ILE A 48 13.823 22.699 11.736 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.805 23.404 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.254 23.267 9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.827 21.886 10.476 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.392 23.162 11.638 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.524 23.544 9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 48 14.874 21.210 8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.744 20.876 10.208 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.273 21.015 9.216 1.00 0.00 H new ATOM 754 N GLY A 49 11.719 25.968 12.347 1.00 0.00 N ATOM 755 CA GLY A 49 10.851 26.443 13.439 1.00 0.00 C ATOM 756 C GLY A 49 9.552 25.644 13.606 1.00 0.00 C ATOM 757 O GLY A 49 9.161 25.333 14.737 1.00 0.00 O ATOM 0 H GLY A 49 11.423 26.304 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.410 26.405 14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.600 27.488 13.259 1.00 0.00 H new ATOM 761 N ARG A 50 8.904 25.259 12.496 1.00 0.00 N ATOM 762 CA ARG A 50 7.682 24.431 12.494 1.00 0.00 C ATOM 763 C ARG A 50 7.647 23.441 11.339 1.00 0.00 C ATOM 764 O ARG A 50 8.142 23.731 10.249 1.00 0.00 O ATOM 765 CB ARG A 50 6.395 25.278 12.422 1.00 0.00 C ATOM 766 CG ARG A 50 6.273 26.416 13.445 1.00 0.00 C ATOM 767 CD ARG A 50 4.823 26.927 13.564 1.00 0.00 C ATOM 768 NE ARG A 50 4.155 27.104 12.255 1.00 0.00 N ATOM 769 CZ ARG A 50 4.063 28.189 11.511 1.00 0.00 C ATOM 770 NH1 ARG A 50 4.602 29.330 11.837 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 3.396 28.111 10.400 1.00 0.00 N ATOM 0 H ARG A 50 9.216 25.516 11.560 1.00 0.00 H new ATOM 0 HA ARG A 50 7.717 23.891 13.440 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.323 25.707 11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.540 24.613 12.546 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.616 26.067 14.419 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.925 27.239 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.246 26.225 14.166 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.823 27.879 14.096 1.00 0.00 H new ATOM 0 HE ARG A 50 3.703 26.272 11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.127 29.416 12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.498 30.137 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.963 27.229 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.305 28.932 9.801 1.00 0.00 H new ATOM 785 N VAL A 51 6.956 22.327 11.562 1.00 0.00 N ATOM 786 CA VAL A 51 6.498 21.376 10.550 1.00 0.00 C ATOM 787 C VAL A 51 4.986 21.247 10.700 1.00 0.00 C ATOM 788 O VAL A 51 4.500 20.664 11.666 1.00 0.00 O ATOM 789 CB VAL A 51 7.201 20.014 10.711 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.711 18.998 9.672 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.716 20.145 10.550 1.00 0.00 C ATOM 0 H VAL A 51 6.685 22.047 12.505 1.00 0.00 H new ATOM 0 HA VAL A 51 6.746 21.731 9.550 1.00 0.00 H new ATOM 0 HB VAL A 51 6.958 19.667 11.715 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.229 18.050 9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.638 18.846 9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.917 19.374 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.181 19.166 10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.944 20.536 9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.105 20.826 11.307 1.00 0.00 H new ATOM 801 N ASP A 52 4.244 21.805 9.754 1.00 0.00 N ATOM 802 CA ASP A 52 2.779 21.794 9.667 1.00 0.00 C ATOM 803 C ASP A 52 2.333 20.794 8.589 1.00 0.00 C ATOM 804 O ASP A 52 1.750 21.147 7.558 1.00 0.00 O ATOM 805 CB ASP A 52 2.259 23.227 9.439 1.00 0.00 C ATOM 806 CG ASP A 52 2.578 24.199 10.588 1.00 0.00 C ATOM 807 OD1 ASP A 52 2.812 25.399 10.315 1.00 0.00 O ATOM 808 OD2 ASP A 52 2.519 23.799 11.775 1.00 0.00 O1- ATOM 0 H ASP A 52 4.669 22.310 8.976 1.00 0.00 H new ATOM 0 HA ASP A 52 2.339 21.454 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.690 23.617 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.179 23.192 9.296 1.00 0.00 H new ATOM 813 N LEU A 53 2.669 19.518 8.802 1.00 0.00 N ATOM 814 CA LEU A 53 2.483 18.426 7.838 1.00 0.00 C ATOM 815 C LEU A 53 0.998 18.135 7.521 1.00 0.00 C ATOM 816 O LEU A 53 0.678 17.662 6.429 1.00 0.00 O ATOM 817 CB LEU A 53 3.233 17.197 8.381 1.00 0.00 C ATOM 818 CG LEU A 53 3.394 16.046 7.382 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.230 16.442 6.167 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.104 14.888 8.074 1.00 0.00 C ATOM 0 H LEU A 53 3.091 19.206 9.677 1.00 0.00 H new ATOM 0 HA LEU A 53 2.898 18.718 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.222 17.511 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.704 16.826 9.259 1.00 0.00 H new ATOM 0 HG LEU A 53 2.396 15.770 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.314 15.592 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.749 17.272 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.225 16.746 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.224 14.063 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.084 15.216 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.512 14.556 8.927 1.00 0.00 H new ATOM 832 N ARG A 54 0.084 18.532 8.422 1.00 0.00 N ATOM 833 CA ARG A 54 -1.376 18.592 8.217 1.00 0.00 C ATOM 834 C ARG A 54 -1.769 19.429 6.986 1.00 0.00 C ATOM 835 O ARG A 54 -2.770 19.120 6.339 1.00 0.00 O ATOM 836 CB ARG A 54 -2.019 19.163 9.495 1.00 0.00 C ATOM 837 CG ARG A 54 -3.528 18.882 9.598 1.00 0.00 C ATOM 838 CD ARG A 54 -4.169 19.504 10.847 1.00 0.00 C ATOM 839 NE ARG A 54 -3.692 18.896 12.103 1.00 0.00 N ATOM 840 CZ ARG A 54 -4.347 18.108 12.942 1.00 0.00 C ATOM 841 NH1 ARG A 54 -5.565 17.693 12.727 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -3.788 17.715 14.049 1.00 0.00 N ATOM 0 H ARG A 54 0.354 18.834 9.358 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.742 17.584 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.518 18.739 10.365 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.855 20.240 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.026 19.270 8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.692 17.804 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.956 20.573 10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.252 19.395 10.785 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.729 19.111 12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.058 17.975 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.025 17.087 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.839 18.014 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.298 17.108 14.691 1.00 0.00 H new ATOM 856 N SER A 55 -0.975 20.446 6.643 1.00 0.00 N ATOM 857 CA SER A 55 -1.174 21.334 5.478 1.00 0.00 C ATOM 858 C SER A 55 -0.061 21.222 4.421 1.00 0.00 C ATOM 859 O SER A 55 -0.116 21.895 3.387 1.00 0.00 O ATOM 860 CB SER A 55 -1.312 22.792 5.949 1.00 0.00 C ATOM 861 OG SER A 55 -2.369 22.916 6.893 1.00 0.00 O ATOM 0 H SER A 55 -0.144 20.689 7.183 1.00 0.00 H new ATOM 0 HA SER A 55 -2.092 21.006 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.376 23.125 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.504 23.440 5.093 1.00 0.00 H new ATOM 0 HG SER A 55 -2.441 23.849 7.183 1.00 0.00 H new ATOM 867 N GLY A 56 0.968 20.397 4.668 1.00 0.00 N ATOM 868 CA GLY A 56 2.134 20.241 3.788 1.00 0.00 C ATOM 869 C GLY A 56 3.067 21.457 3.768 1.00 0.00 C ATOM 870 O GLY A 56 3.507 21.864 2.690 1.00 0.00 O ATOM 0 H GLY A 56 1.013 19.809 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.701 19.366 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.787 20.045 2.773 1.00 0.00 H new ATOM 874 N VAL A 57 3.350 22.077 4.925 1.00 0.00 N ATOM 875 CA VAL A 57 4.193 23.285 5.045 1.00 0.00 C ATOM 876 C VAL A 57 5.293 23.121 6.111 1.00 0.00 C ATOM 877 O VAL A 57 5.040 22.556 7.172 1.00 0.00 O ATOM 878 CB VAL A 57 3.336 24.543 5.324 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.185 25.826 5.366 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.238 24.750 4.273 1.00 0.00 C ATOM 0 H VAL A 57 2.994 21.749 5.823 1.00 0.00 H new ATOM 0 HA VAL A 57 4.691 23.420 4.085 1.00 0.00 H new ATOM 0 HB VAL A 57 2.883 24.362 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.541 26.682 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.931 25.743 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.685 25.963 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.666 25.646 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.693 24.865 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.573 23.886 4.266 1.00 0.00 H new ATOM 890 N ILE A 58 6.495 23.649 5.863 1.00 0.00 N ATOM 891 CA ILE A 58 7.605 23.743 6.826 1.00 0.00 C ATOM 892 C ILE A 58 8.082 25.195 6.916 1.00 0.00 C ATOM 893 O ILE A 58 8.376 25.813 5.889 1.00 0.00 O ATOM 894 CB ILE A 58 8.753 22.767 6.465 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.286 21.294 6.560 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.968 22.946 7.393 1.00 0.00 C ATOM 897 CD1 ILE A 58 7.924 20.705 5.196 1.00 0.00 C ATOM 0 H ILE A 58 6.735 24.039 4.951 1.00 0.00 H new ATOM 0 HA ILE A 58 7.250 23.440 7.811 1.00 0.00 H new ATOM 0 HB ILE A 58 9.042 23.001 5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.076 20.694 7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.421 21.232 7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.751 22.244 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.345 23.965 7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.669 22.756 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.603 19.671 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.115 21.285 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.796 20.739 4.542 1.00 0.00 H new ATOM 909 N SER A 59 8.179 25.738 8.129 1.00 0.00 N ATOM 910 CA SER A 59 8.518 27.144 8.389 1.00 0.00 C ATOM 911 C SER A 59 9.910 27.276 9.009 1.00 0.00 C ATOM 912 O SER A 59 10.211 26.612 10.003 1.00 0.00 O ATOM 913 CB SER A 59 7.480 27.801 9.313 1.00 0.00 C ATOM 914 OG SER A 59 6.169 27.673 8.788 1.00 0.00 O ATOM 0 H SER A 59 8.021 25.202 8.982 1.00 0.00 H new ATOM 0 HA SER A 59 8.513 27.658 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.525 27.341 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.721 28.856 9.442 1.00 0.00 H new ATOM 0 HG SER A 59 5.626 28.437 9.074 1.00 0.00 H new ATOM 920 N LEU A 60 10.751 28.146 8.445 1.00 0.00 N ATOM 921 CA LEU A 60 12.109 28.420 8.929 1.00 0.00 C ATOM 922 C LEU A 60 12.190 29.713 9.768 1.00 0.00 C ATOM 923 O LEU A 60 11.405 30.646 9.579 1.00 0.00 O ATOM 924 CB LEU A 60 13.097 28.470 7.757 1.00 0.00 C ATOM 925 CG LEU A 60 13.020 27.280 6.783 1.00 0.00 C ATOM 926 CD1 LEU A 60 14.131 27.413 5.737 1.00 0.00 C ATOM 927 CD2 LEU A 60 13.183 25.929 7.482 1.00 0.00 C ATOM 0 H LEU A 60 10.503 28.693 7.620 1.00 0.00 H new ATOM 0 HA LEU A 60 12.384 27.598 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.925 29.389 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.109 28.526 8.158 1.00 0.00 H new ATOM 0 HG LEU A 60 12.030 27.306 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.081 26.573 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.003 28.345 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.101 27.416 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.120 25.128 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 60 14.153 25.890 7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.392 25.804 8.222 1.00 0.00 H new ATOM 939 N ILE A 61 13.174 29.770 10.666 1.00 0.00 N ATOM 940 CA ILE A 61 13.455 30.887 11.586 1.00 0.00 C ATOM 941 C ILE A 61 14.964 31.168 11.670 1.00 0.00 C ATOM 942 O ILE A 61 15.786 30.309 11.348 1.00 0.00 O ATOM 943 CB ILE A 61 12.850 30.624 12.990 1.00 0.00 C ATOM 944 CG1 ILE A 61 13.496 29.415 13.714 1.00 0.00 C ATOM 945 CG2 ILE A 61 11.319 30.461 12.931 1.00 0.00 C ATOM 946 CD1 ILE A 61 14.317 29.867 14.928 1.00 0.00 C ATOM 0 H ILE A 61 13.834 29.001 10.782 1.00 0.00 H new ATOM 0 HA ILE A 61 12.975 31.779 11.184 1.00 0.00 H new ATOM 0 HB ILE A 61 13.081 31.511 13.580 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.718 28.723 14.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 14.138 28.873 13.020 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.934 30.278 13.934 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.871 31.371 12.530 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.067 29.619 12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.757 28.996 15.414 1.00 0.00 H new ATOM 0 HD12 ILE A 61 15.110 30.539 14.601 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.668 30.387 15.633 1.00 0.00 H new ATOM 958 N GLU A 62 15.355 32.365 12.104 1.00 0.00 N ATOM 959 CA GLU A 62 16.756 32.794 12.212 1.00 0.00 C ATOM 960 C GLU A 62 17.490 32.098 13.373 1.00 0.00 C ATOM 961 O GLU A 62 17.049 32.145 14.520 1.00 0.00 O ATOM 962 CB GLU A 62 16.849 34.323 12.368 1.00 0.00 C ATOM 963 CG GLU A 62 16.130 35.134 11.271 1.00 0.00 C ATOM 964 CD GLU A 62 14.693 35.567 11.655 1.00 0.00 C ATOM 965 OE1 GLU A 62 14.305 36.716 11.323 1.00 0.00 O ATOM 966 OE2 GLU A 62 13.930 34.782 12.275 1.00 0.00 O1- ATOM 0 H GLU A 62 14.694 33.084 12.398 1.00 0.00 H new ATOM 0 HA GLU A 62 17.249 32.499 11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.432 34.601 13.336 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.901 34.609 12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.719 36.023 11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.089 34.538 10.359 1.00 0.00 H new ATOM 1113 N MET B 3 1.263 12.415 6.884 1.00 0.00 N ATOM 1114 CA MET B 3 1.666 12.137 8.274 1.00 0.00 C ATOM 1115 C MET B 3 3.062 11.490 8.341 1.00 0.00 C ATOM 1116 O MET B 3 3.521 10.876 7.374 1.00 0.00 O ATOM 1117 CB MET B 3 0.591 11.325 9.009 1.00 0.00 C ATOM 1118 CG MET B 3 0.517 9.857 8.590 1.00 0.00 C ATOM 1119 SD MET B 3 -0.818 8.946 9.418 1.00 0.00 S ATOM 1120 CE MET B 3 -0.455 7.280 8.811 1.00 0.00 C ATOM 0 HA MET B 3 1.750 13.088 8.800 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.783 11.376 10.081 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.380 11.789 8.837 1.00 0.00 H new ATOM 0 HG2 MET B 3 0.373 9.800 7.511 1.00 0.00 H new ATOM 0 HG3 MET B 3 1.469 9.374 8.810 1.00 0.00 H new ATOM 0 HE1 MET B 3 -1.181 6.577 9.220 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.513 7.269 7.723 1.00 0.00 H new ATOM 0 HE3 MET B 3 0.548 6.989 9.124 1.00 0.00 H new ATOM 1130 N ALA B 4 3.731 11.647 9.481 1.00 0.00 N ATOM 1131 CA ALA B 4 5.102 11.203 9.730 1.00 0.00 C ATOM 1132 C ALA B 4 5.254 10.583 11.130 1.00 0.00 C ATOM 1133 O ALA B 4 4.310 10.569 11.922 1.00 0.00 O ATOM 1134 CB ALA B 4 6.028 12.411 9.541 1.00 0.00 C ATOM 0 H ALA B 4 3.316 12.107 10.291 1.00 0.00 H new ATOM 0 HA ALA B 4 5.371 10.416 9.025 1.00 0.00 H new ATOM 0 HB1 ALA B 4 7.060 12.110 9.721 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.932 12.787 8.523 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.751 13.195 10.245 1.00 0.00 H new ATOM 1140 N LYS B 5 6.460 10.102 11.458 1.00 0.00 N ATOM 1141 CA LYS B 5 6.867 9.819 12.844 1.00 0.00 C ATOM 1142 C LYS B 5 7.926 10.809 13.344 1.00 0.00 C ATOM 1143 O LYS B 5 8.838 11.182 12.602 1.00 0.00 O ATOM 1144 CB LYS B 5 7.282 8.351 13.030 1.00 0.00 C ATOM 1145 CG LYS B 5 8.605 7.952 12.348 1.00 0.00 C ATOM 1146 CD LYS B 5 8.970 6.511 12.727 1.00 0.00 C ATOM 1147 CE LYS B 5 10.346 6.129 12.173 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.795 4.820 12.712 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.184 9.897 10.769 1.00 0.00 H new ATOM 0 HA LYS B 5 5.992 9.969 13.476 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.366 8.146 14.097 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.486 7.713 12.645 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.508 8.040 11.266 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.401 8.631 12.653 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.969 6.405 13.812 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.215 5.827 12.339 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.303 6.082 11.085 1.00 0.00 H new ATOM 0 HE3 LYS B 5 11.072 6.900 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.787 4.656 12.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.712 4.825 13.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.201 4.061 12.320 1.00 0.00 H new ATOM 1162 N VAL B 6 7.822 11.202 14.612 1.00 0.00 N ATOM 1163 CA VAL B 6 8.881 11.921 15.347 1.00 0.00 C ATOM 1164 C VAL B 6 9.930 10.941 15.871 1.00 0.00 C ATOM 1165 O VAL B 6 9.585 9.824 16.261 1.00 0.00 O ATOM 1166 CB VAL B 6 8.267 12.790 16.465 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.215 13.163 17.614 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.783 14.096 15.838 1.00 0.00 C ATOM 0 H VAL B 6 6.988 11.031 15.174 1.00 0.00 H new ATOM 0 HA VAL B 6 9.395 12.598 14.665 1.00 0.00 H new ATOM 0 HB VAL B 6 7.475 12.183 16.904 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.681 13.773 18.343 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.577 12.255 18.097 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.061 13.726 17.220 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.344 14.729 16.609 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.626 14.614 15.380 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.034 13.878 15.077 1.00 0.00 H new ATOM 1178 N VAL B 7 11.194 11.371 15.921 1.00 0.00 N ATOM 1179 CA VAL B 7 12.294 10.655 16.591 1.00 0.00 C ATOM 1180 C VAL B 7 13.184 11.614 17.397 1.00 0.00 C ATOM 1181 O VAL B 7 13.557 12.685 16.915 1.00 0.00 O ATOM 1182 CB VAL B 7 13.083 9.768 15.602 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.704 10.532 14.428 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.209 8.998 16.303 1.00 0.00 C ATOM 0 H VAL B 7 11.492 12.245 15.489 1.00 0.00 H new ATOM 0 HA VAL B 7 11.856 9.971 17.318 1.00 0.00 H new ATOM 0 HB VAL B 7 12.331 9.086 15.206 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.239 9.835 13.783 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.917 11.024 13.857 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.399 11.281 14.808 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.740 8.386 15.574 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.903 9.704 16.759 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.785 8.356 17.075 1.00 0.00 H new ATOM 1194 N LEU B 8 13.510 11.211 18.628 1.00 0.00 N ATOM 1195 CA LEU B 8 14.364 11.924 19.580 1.00 0.00 C ATOM 1196 C LEU B 8 15.091 10.931 20.508 1.00 0.00 C ATOM 1197 O LEU B 8 14.708 9.763 20.596 1.00 0.00 O ATOM 1198 CB LEU B 8 13.512 12.953 20.361 1.00 0.00 C ATOM 1199 CG LEU B 8 12.457 12.365 21.327 1.00 0.00 C ATOM 1200 CD1 LEU B 8 12.968 12.310 22.767 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.190 13.228 21.322 1.00 0.00 C ATOM 0 H LEU B 8 13.166 10.329 19.008 1.00 0.00 H new ATOM 0 HA LEU B 8 15.140 12.471 19.045 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.184 13.592 20.934 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.001 13.593 19.642 1.00 0.00 H new ATOM 0 HG LEU B 8 12.246 11.355 20.977 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.195 11.891 23.411 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.859 11.683 22.813 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.215 13.317 23.104 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.457 12.802 22.007 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.438 14.240 21.641 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.773 13.256 20.315 1.00 0.00 H new ATOM 1309 N VAL B 16 13.361 7.457 21.603 1.00 0.00 N ATOM 1310 CA VAL B 16 11.905 7.654 21.713 1.00 0.00 C ATOM 1311 C VAL B 16 11.324 8.048 20.354 1.00 0.00 C ATOM 1312 O VAL B 16 11.896 8.878 19.645 1.00 0.00 O ATOM 1313 CB VAL B 16 11.587 8.725 22.781 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.094 9.075 22.859 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.032 8.292 24.185 1.00 0.00 C ATOM 0 HA VAL B 16 11.443 6.717 22.025 1.00 0.00 H new ATOM 0 HB VAL B 16 12.147 9.603 22.459 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.937 9.832 23.627 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.760 9.461 21.896 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.523 8.181 23.109 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.788 9.076 24.902 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.516 7.373 24.463 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.108 8.119 24.188 1.00 0.00 H new ATOM 1325 N GLU B 17 10.183 7.458 19.986 1.00 0.00 N ATOM 1326 CA GLU B 17 9.477 7.736 18.724 1.00 0.00 C ATOM 1327 C GLU B 17 7.955 7.839 18.930 1.00 0.00 C ATOM 1328 O GLU B 17 7.377 7.143 19.775 1.00 0.00 O ATOM 1329 CB GLU B 17 9.812 6.680 17.649 1.00 0.00 C ATOM 1330 CG GLU B 17 11.312 6.646 17.302 1.00 0.00 C ATOM 1331 CD GLU B 17 11.674 5.739 16.110 1.00 0.00 C ATOM 1332 OE1 GLU B 17 12.876 5.685 15.755 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.793 5.088 15.493 1.00 0.00 O1- ATOM 0 H GLU B 17 9.713 6.761 20.564 1.00 0.00 H new ATOM 0 HA GLU B 17 9.828 8.705 18.370 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.502 5.696 18.002 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.238 6.891 16.746 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.644 7.661 17.083 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.867 6.311 18.178 1.00 0.00 H new ATOM 1340 N ILE B 18 7.297 8.693 18.140 1.00 0.00 N ATOM 1341 CA ILE B 18 5.843 8.922 18.153 1.00 0.00 C ATOM 1342 C ILE B 18 5.324 8.821 16.716 1.00 0.00 C ATOM 1343 O ILE B 18 5.786 9.562 15.850 1.00 0.00 O ATOM 1344 CB ILE B 18 5.492 10.304 18.763 1.00 0.00 C ATOM 1345 CG1 ILE B 18 5.974 10.443 20.224 1.00 0.00 C ATOM 1346 CG2 ILE B 18 3.973 10.572 18.698 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.087 11.907 20.671 1.00 0.00 C ATOM 0 H ILE B 18 7.777 9.267 17.447 1.00 0.00 H new ATOM 0 HA ILE B 18 5.366 8.167 18.778 1.00 0.00 H new ATOM 0 HB ILE B 18 6.018 11.045 18.161 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.282 9.918 20.883 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.945 9.958 20.330 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.757 11.548 19.133 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.645 10.557 17.659 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.443 9.800 19.257 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.430 11.946 21.705 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.800 12.428 20.032 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.112 12.387 20.593 1.00 0.00 H new ATOM 1359 N GLY B 19 4.384 7.914 16.447 1.00 0.00 N ATOM 1360 CA GLY B 19 3.790 7.709 15.118 1.00 0.00 C ATOM 1361 C GLY B 19 2.580 8.605 14.816 1.00 0.00 C ATOM 1362 O GLY B 19 2.006 9.228 15.709 1.00 0.00 O ATOM 0 H GLY B 19 4.005 7.288 17.157 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.554 7.885 14.361 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.486 6.666 15.027 1.00 0.00 H new ATOM 1366 N ASP B 20 2.173 8.633 13.541 1.00 0.00 N ATOM 1367 CA ASP B 20 0.969 9.315 13.031 1.00 0.00 C ATOM 1368 C ASP B 20 0.905 10.820 13.383 1.00 0.00 C ATOM 1369 O ASP B 20 -0.158 11.377 13.664 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.313 8.538 13.405 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.282 7.033 13.082 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.069 6.280 13.708 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.497 6.572 12.214 1.00 0.00 O1- ATOM 0 H ASP B 20 2.694 8.162 12.802 1.00 0.00 H new ATOM 0 HA ASP B 20 1.042 9.305 11.943 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.495 8.661 14.473 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.157 8.988 12.883 1.00 0.00 H new ATOM 1378 N VAL B 21 2.061 11.492 13.392 1.00 0.00 N ATOM 1379 CA VAL B 21 2.226 12.921 13.688 1.00 0.00 C ATOM 1380 C VAL B 21 1.755 13.788 12.519 1.00 0.00 C ATOM 1381 O VAL B 21 2.108 13.525 11.367 1.00 0.00 O ATOM 1382 CB VAL B 21 3.688 13.231 14.060 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.952 14.726 14.273 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.071 12.506 15.357 1.00 0.00 C ATOM 0 H VAL B 21 2.948 11.034 13.184 1.00 0.00 H new ATOM 0 HA VAL B 21 1.599 13.164 14.546 1.00 0.00 H new ATOM 0 HB VAL B 21 4.287 12.889 13.216 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.000 14.877 14.532 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.723 15.270 13.357 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.321 15.095 15.082 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.107 12.734 15.609 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.420 12.838 16.165 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.959 11.431 15.219 1.00 0.00 H new ATOM 1394 N LEU B 22 0.975 14.834 12.825 1.00 0.00 N ATOM 1395 CA LEU B 22 0.476 15.832 11.866 1.00 0.00 C ATOM 1396 C LEU B 22 1.124 17.220 12.012 1.00 0.00 C ATOM 1397 O LEU B 22 1.155 17.974 11.039 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.056 15.930 11.965 1.00 0.00 C ATOM 1399 CG LEU B 22 -1.850 14.689 11.509 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.343 15.030 11.517 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -1.508 14.248 10.089 1.00 0.00 C ATOM 0 H LEU B 22 0.663 15.016 13.779 1.00 0.00 H new ATOM 0 HA LEU B 22 0.764 15.481 10.875 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.319 16.143 13.001 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.384 16.783 11.371 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.593 13.883 12.196 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -3.917 14.160 11.196 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.646 15.313 12.525 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.530 15.860 10.835 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.100 13.371 9.828 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -1.732 15.057 9.393 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -0.448 14.001 10.030 1.00 0.00 H new ATOM 1413 N GLU B 23 1.695 17.567 13.176 1.00 0.00 N ATOM 1414 CA GLU B 23 2.545 18.758 13.319 1.00 0.00 C ATOM 1415 C GLU B 23 3.556 18.663 14.475 1.00 0.00 C ATOM 1416 O GLU B 23 3.331 17.991 15.484 1.00 0.00 O ATOM 1417 CB GLU B 23 1.722 20.060 13.417 1.00 0.00 C ATOM 1418 CG GLU B 23 0.633 20.071 14.503 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.701 19.482 14.011 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.216 18.513 14.618 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -1.294 20.015 13.044 1.00 0.00 O1- ATOM 0 H GLU B 23 1.581 17.034 14.038 1.00 0.00 H new ATOM 0 HA GLU B 23 3.128 18.794 12.399 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.405 20.889 13.603 1.00 0.00 H new ATOM 0 HB3 GLU B 23 1.251 20.246 12.452 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.980 19.503 15.366 1.00 0.00 H new ATOM 0 HG3 GLU B 23 0.471 21.095 14.840 1.00 0.00 H new ATOM 1428 N VAL B 24 4.672 19.374 14.297 1.00 0.00 N ATOM 1429 CA VAL B 24 5.788 19.514 15.251 1.00 0.00 C ATOM 1430 C VAL B 24 6.225 20.976 15.270 1.00 0.00 C ATOM 1431 O VAL B 24 6.424 21.564 14.207 1.00 0.00 O ATOM 1432 CB VAL B 24 6.983 18.618 14.869 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.148 18.735 15.866 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.570 17.149 14.797 1.00 0.00 C ATOM 0 H VAL B 24 4.836 19.899 13.438 1.00 0.00 H new ATOM 0 HA VAL B 24 5.447 19.199 16.237 1.00 0.00 H new ATOM 0 HB VAL B 24 7.314 18.968 13.892 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.963 18.084 15.551 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.498 19.767 15.897 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.809 18.437 16.858 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.433 16.541 14.526 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.192 16.829 15.768 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.790 17.027 14.046 1.00 0.00 H new ATOM 1444 N ARG B 25 6.361 21.586 16.448 1.00 0.00 N ATOM 1445 CA ARG B 25 6.581 23.040 16.586 1.00 0.00 C ATOM 1446 C ARG B 25 7.571 23.358 17.704 1.00 0.00 C ATOM 1447 O ARG B 25 7.406 22.897 18.835 1.00 0.00 O ATOM 1448 CB ARG B 25 5.234 23.754 16.817 1.00 0.00 C ATOM 1449 CG ARG B 25 4.267 23.578 15.639 1.00 0.00 C ATOM 1450 CD ARG B 25 2.959 24.348 15.837 1.00 0.00 C ATOM 1451 NE ARG B 25 2.126 24.252 14.627 1.00 0.00 N ATOM 1452 CZ ARG B 25 0.831 24.452 14.527 1.00 0.00 C ATOM 1453 NH1 ARG B 25 0.076 24.786 15.537 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 0.283 24.314 13.361 1.00 0.00 N ATOM 0 H ARG B 25 6.323 21.092 17.339 1.00 0.00 H new ATOM 0 HA ARG B 25 7.021 23.408 15.659 1.00 0.00 H new ATOM 0 HB2 ARG B 25 4.771 23.365 17.724 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.413 24.817 16.981 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.750 23.917 14.723 1.00 0.00 H new ATOM 0 HG3 ARG B 25 4.046 22.519 15.509 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.418 23.946 16.693 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.174 25.394 16.058 1.00 0.00 H new ATOM 0 HE ARG B 25 2.611 24.001 13.765 1.00 0.00 H new ATOM 0 HH11 ARG B 25 0.486 24.905 16.463 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -0.925 24.929 15.400 1.00 0.00 H new ATOM 0 HH21 ARG B 25 0.855 24.057 12.556 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -0.720 24.462 13.248 1.00 0.00 H new ATOM 1468 N ALA B 26 8.597 24.140 17.389 1.00 0.00 N ATOM 1469 CA ALA B 26 9.550 24.662 18.358 1.00 0.00 C ATOM 1470 C ALA B 26 9.002 25.912 19.079 1.00 0.00 C ATOM 1471 O ALA B 26 8.279 26.731 18.506 1.00 0.00 O ATOM 1472 CB ALA B 26 10.882 24.942 17.654 1.00 0.00 C ATOM 0 H ALA B 26 8.793 24.434 16.432 1.00 0.00 H new ATOM 0 HA ALA B 26 9.716 23.914 19.134 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.600 25.333 18.375 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.267 24.018 17.224 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.728 25.675 16.862 1.00 0.00 H new ATOM 1478 N GLU B 27 9.387 26.072 20.342 1.00 0.00 N ATOM 1479 CA GLU B 27 9.077 27.206 21.226 1.00 0.00 C ATOM 1480 C GLU B 27 10.350 27.671 21.968 1.00 0.00 C ATOM 1481 O GLU B 27 11.448 27.161 21.721 1.00 0.00 O ATOM 1482 CB GLU B 27 7.969 26.797 22.218 1.00 0.00 C ATOM 1483 CG GLU B 27 6.653 26.396 21.534 1.00 0.00 C ATOM 1484 CD GLU B 27 5.446 26.403 22.497 1.00 0.00 C ATOM 1485 OE1 GLU B 27 5.623 26.269 23.732 1.00 0.00 O ATOM 1486 OE2 GLU B 27 4.290 26.521 22.015 1.00 0.00 O1- ATOM 0 H GLU B 27 9.961 25.371 20.811 1.00 0.00 H new ATOM 0 HA GLU B 27 8.716 28.044 20.630 1.00 0.00 H new ATOM 0 HB2 GLU B 27 8.324 25.963 22.823 1.00 0.00 H new ATOM 0 HB3 GLU B 27 7.778 27.626 22.899 1.00 0.00 H new ATOM 0 HG2 GLU B 27 6.456 27.080 20.708 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.762 25.400 21.104 1.00 0.00 H new ATOM 1493 N GLY B 28 10.219 28.638 22.884 1.00 0.00 N ATOM 1494 CA GLY B 28 11.311 29.155 23.720 1.00 0.00 C ATOM 1495 C GLY B 28 11.844 28.138 24.738 1.00 0.00 C ATOM 1496 O GLY B 28 11.547 28.240 25.933 1.00 0.00 O ATOM 0 H GLY B 28 9.326 29.095 23.070 1.00 0.00 H new ATOM 0 HA2 GLY B 28 12.130 29.474 23.076 1.00 0.00 H new ATOM 0 HA3 GLY B 28 10.961 30.040 24.252 1.00 0.00 H new ATOM 1500 N GLY B 29 12.652 27.183 24.264 1.00 0.00 N ATOM 1501 CA GLY B 29 13.328 26.158 25.067 1.00 0.00 C ATOM 1502 C GLY B 29 12.708 24.760 25.010 1.00 0.00 C ATOM 1503 O GLY B 29 13.017 23.934 25.871 1.00 0.00 O ATOM 0 H GLY B 29 12.861 27.100 23.269 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.365 26.090 24.739 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.344 26.487 26.106 1.00 0.00 H new ATOM 1507 N ALA B 30 11.822 24.471 24.046 1.00 0.00 N ATOM 1508 CA ALA B 30 11.123 23.182 23.922 1.00 0.00 C ATOM 1509 C ALA B 30 10.618 22.889 22.493 1.00 0.00 C ATOM 1510 O ALA B 30 10.516 23.792 21.658 1.00 0.00 O ATOM 1511 CB ALA B 30 9.947 23.170 24.914 1.00 0.00 C ATOM 0 H ALA B 30 11.566 25.138 23.318 1.00 0.00 H new ATOM 0 HA ALA B 30 11.840 22.393 24.151 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.416 22.221 24.837 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.326 23.293 25.929 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.265 23.988 24.680 1.00 0.00 H new ATOM 1517 N VAL B 31 10.232 21.636 22.241 1.00 0.00 N ATOM 1518 CA VAL B 31 9.454 21.193 21.060 1.00 0.00 C ATOM 1519 C VAL B 31 8.150 20.504 21.482 1.00 0.00 C ATOM 1520 O VAL B 31 8.144 19.675 22.396 1.00 0.00 O ATOM 1521 CB VAL B 31 10.289 20.292 20.129 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.464 19.568 19.053 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.336 21.118 19.379 1.00 0.00 C ATOM 0 H VAL B 31 10.456 20.866 22.872 1.00 0.00 H new ATOM 0 HA VAL B 31 9.191 22.085 20.492 1.00 0.00 H new ATOM 0 HB VAL B 31 10.735 19.552 20.793 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.124 18.955 18.440 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.719 18.932 19.532 1.00 0.00 H new ATOM 0 HG13 VAL B 31 8.962 20.303 18.423 1.00 0.00 H new ATOM 0 HG21 VAL B 31 11.916 20.465 18.727 1.00 0.00 H new ATOM 0 HG22 VAL B 31 10.837 21.880 18.780 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.002 21.599 20.096 1.00 0.00 H new ATOM 1533 N ARG B 32 7.053 20.831 20.786 1.00 0.00 N ATOM 1534 CA ARG B 32 5.714 20.216 20.890 1.00 0.00 C ATOM 1535 C ARG B 32 5.404 19.349 19.664 1.00 0.00 C ATOM 1536 O ARG B 32 5.872 19.643 18.567 1.00 0.00 O ATOM 1537 CB ARG B 32 4.659 21.321 21.048 1.00 0.00 C ATOM 1538 CG ARG B 32 4.777 22.058 22.396 1.00 0.00 C ATOM 1539 CD ARG B 32 3.951 23.343 22.413 1.00 0.00 C ATOM 1540 NE ARG B 32 2.498 23.094 22.356 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.545 23.992 22.209 1.00 0.00 C ATOM 1542 NH1 ARG B 32 1.782 25.268 22.057 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.309 23.595 22.217 1.00 0.00 N ATOM 0 H ARG B 32 7.073 21.578 20.091 1.00 0.00 H new ATOM 0 HA ARG B 32 5.694 19.566 21.765 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.764 22.039 20.234 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.664 20.884 20.962 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.444 21.401 23.200 1.00 0.00 H new ATOM 0 HG3 ARG B 32 5.823 22.295 22.590 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.183 23.906 23.317 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.241 23.966 21.567 1.00 0.00 H new ATOM 0 HE ARG B 32 2.199 22.122 22.439 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.743 25.611 22.048 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.006 25.921 21.947 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.092 22.605 22.335 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.445 24.273 22.105 1.00 0.00 H new ATOM 1557 N VAL B 33 4.595 18.307 19.853 1.00 0.00 N ATOM 1558 CA VAL B 33 4.244 17.272 18.854 1.00 0.00 C ATOM 1559 C VAL B 33 2.761 16.910 18.983 1.00 0.00 C ATOM 1560 O VAL B 33 2.303 16.658 20.101 1.00 0.00 O ATOM 1561 CB VAL B 33 5.101 16.000 19.077 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.753 14.873 18.101 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.609 16.277 18.985 1.00 0.00 C ATOM 0 H VAL B 33 4.138 18.144 20.750 1.00 0.00 H new ATOM 0 HA VAL B 33 4.441 17.667 17.857 1.00 0.00 H new ATOM 0 HB VAL B 33 4.858 15.681 20.091 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.384 14.008 18.304 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.706 14.595 18.224 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.920 15.212 17.079 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.160 15.351 19.149 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.847 16.670 17.997 1.00 0.00 H new ATOM 0 HG23 VAL B 33 6.892 17.007 19.744 1.00 0.00 H new ATOM 1573 N THR B 34 2.012 16.842 17.878 1.00 0.00 N ATOM 1574 CA THR B 34 0.574 16.487 17.880 1.00 0.00 C ATOM 1575 C THR B 34 0.205 15.486 16.776 1.00 0.00 C ATOM 1576 O THR B 34 0.680 15.589 15.641 1.00 0.00 O ATOM 1577 CB THR B 34 -0.322 17.737 17.832 1.00 0.00 C ATOM 1578 OG1 THR B 34 -0.045 18.574 18.938 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.821 17.432 17.893 1.00 0.00 C ATOM 0 H THR B 34 2.381 17.032 16.946 1.00 0.00 H new ATOM 0 HA THR B 34 0.387 15.982 18.828 1.00 0.00 H new ATOM 0 HB THR B 34 -0.097 18.208 16.875 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.618 19.368 18.899 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.384 18.365 17.854 1.00 0.00 H new ATOM 0 HG22 THR B 34 -2.099 16.805 17.046 1.00 0.00 H new ATOM 0 HG23 THR B 34 -2.048 16.909 18.822 1.00 0.00 H new ATOM 1587 N THR B 35 -0.642 14.505 17.112 1.00 0.00 N ATOM 1588 CA THR B 35 -1.002 13.362 16.247 1.00 0.00 C ATOM 1589 C THR B 35 -2.338 13.514 15.500 1.00 0.00 C ATOM 1590 O THR B 35 -3.156 14.392 15.782 1.00 0.00 O ATOM 1591 CB THR B 35 -1.011 12.037 17.037 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.139 11.963 17.885 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.246 11.822 17.886 1.00 0.00 C ATOM 0 H THR B 35 -1.112 14.479 18.017 1.00 0.00 H new ATOM 0 HA THR B 35 -0.220 13.346 15.488 1.00 0.00 H new ATOM 0 HB THR B 35 -1.044 11.253 16.281 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.125 11.114 18.375 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.171 10.871 18.413 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.124 11.810 17.240 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.339 12.632 18.610 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.580 12.585 14.567 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.840 12.339 13.857 1.00 0.00 C ATOM 1603 C LEU B 36 -5.048 12.107 14.788 1.00 0.00 C ATOM 1604 O LEU B 36 -6.188 12.390 14.410 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.581 11.123 12.936 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.788 10.574 12.155 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.387 11.593 11.182 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.344 9.360 11.338 1.00 0.00 C ATOM 0 H LEU B 36 -1.848 11.940 14.268 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.121 13.226 13.289 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.809 11.399 12.218 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.175 10.316 13.546 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.549 10.320 12.893 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.234 11.145 10.662 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.723 12.470 11.735 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.631 11.890 10.455 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.194 8.965 10.782 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.561 9.657 10.641 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.960 8.591 12.008 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.803 11.630 16.010 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.818 11.362 17.038 1.00 0.00 C ATOM 1622 C PHE B 37 -5.846 12.432 18.149 1.00 0.00 C ATOM 1623 O PHE B 37 -6.418 12.216 19.217 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.637 9.926 17.551 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.644 8.916 16.417 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -4.439 8.362 15.937 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -6.853 8.614 15.765 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -4.454 7.516 14.816 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -6.865 7.781 14.634 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.662 7.228 14.157 1.00 0.00 C ATOM 0 H PHE B 37 -3.858 11.411 16.325 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.810 11.436 16.593 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.697 9.851 18.098 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.435 9.688 18.254 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.506 8.588 16.431 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.780 9.026 16.137 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -3.531 7.084 14.458 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -7.796 7.565 14.131 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.667 6.585 13.289 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.246 13.598 17.876 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.187 14.784 18.741 1.00 0.00 C ATOM 1642 C ASP B 38 -4.506 14.557 20.107 1.00 0.00 C ATOM 1643 O ASP B 38 -4.721 15.319 21.055 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.561 15.483 18.845 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.216 15.799 17.484 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -6.505 16.150 16.507 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -8.468 15.736 17.403 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.759 13.748 16.992 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.513 15.477 18.239 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.235 14.850 19.421 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.442 16.412 19.402 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.646 13.534 20.220 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.726 13.384 21.355 1.00 0.00 C ATOM 1654 C GLU B 39 -1.580 14.399 21.228 1.00 0.00 C ATOM 1655 O GLU B 39 -1.026 14.574 20.144 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.154 11.961 21.444 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.234 10.881 21.607 1.00 0.00 C ATOM 1658 CD GLU B 39 -2.649 9.499 21.984 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -3.366 8.702 22.640 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -1.484 9.177 21.627 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.569 12.789 19.528 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.290 13.571 22.269 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.575 11.753 20.544 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.465 11.906 22.287 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.940 11.193 22.376 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.795 10.791 20.677 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.214 15.055 22.330 1.00 0.00 N ATOM 1668 CA GLU B 40 -0.112 16.027 22.380 1.00 0.00 C ATOM 1669 C GLU B 40 1.022 15.545 23.299 1.00 0.00 C ATOM 1670 O GLU B 40 0.783 15.032 24.396 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.634 17.411 22.790 1.00 0.00 C ATOM 1672 CG GLU B 40 0.470 18.482 22.801 1.00 0.00 C ATOM 1673 CD GLU B 40 -0.066 19.920 22.942 1.00 0.00 C ATOM 1674 OE1 GLU B 40 0.674 20.866 22.582 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -1.199 20.136 23.437 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.680 14.927 23.228 1.00 0.00 H new ATOM 0 HA GLU B 40 0.312 16.115 21.380 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.423 17.716 22.103 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -1.082 17.347 23.782 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.156 18.277 23.623 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.046 18.407 21.879 1.00 0.00 H new ATOM 1682 N HIS B 41 2.261 15.768 22.857 1.00 0.00 N ATOM 1683 CA HIS B 41 3.505 15.472 23.573 1.00 0.00 C ATOM 1684 C HIS B 41 4.430 16.699 23.532 1.00 0.00 C ATOM 1685 O HIS B 41 4.411 17.457 22.560 1.00 0.00 O ATOM 1686 CB HIS B 41 4.170 14.225 22.960 1.00 0.00 C ATOM 1687 CG HIS B 41 3.250 13.037 22.768 1.00 0.00 C ATOM 1688 ND1 HIS B 41 2.997 12.031 23.710 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.512 12.787 21.646 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.114 11.197 23.127 1.00 0.00 C ATOM 1691 NE2 HIS B 41 1.799 11.630 21.893 1.00 0.00 N ATOM 0 H HIS B 41 2.434 16.182 21.941 1.00 0.00 H new ATOM 0 HA HIS B 41 3.293 15.253 24.620 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.595 14.496 21.993 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.000 13.923 23.599 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.490 13.378 20.743 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.715 10.305 23.586 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.146 11.181 21.250 1.00 0.00 H new ATOM 1699 N ALA B 42 5.239 16.912 24.570 1.00 0.00 N ATOM 1700 CA ALA B 42 6.177 18.039 24.649 1.00 0.00 C ATOM 1701 C ALA B 42 7.496 17.639 25.327 1.00 0.00 C ATOM 1702 O ALA B 42 7.508 16.846 26.272 1.00 0.00 O ATOM 1703 CB ALA B 42 5.503 19.222 25.351 1.00 0.00 C ATOM 0 H ALA B 42 5.264 16.304 25.388 1.00 0.00 H new ATOM 0 HA ALA B 42 6.440 18.345 23.637 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.201 20.057 25.408 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.621 19.525 24.787 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.207 18.927 26.358 1.00 0.00 H new ATOM 1709 N PHE B 43 8.606 18.207 24.844 1.00 0.00 N ATOM 1710 CA PHE B 43 9.972 17.839 25.215 1.00 0.00 C ATOM 1711 C PHE B 43 10.852 19.096 25.382 1.00 0.00 C ATOM 1712 O PHE B 43 11.094 19.800 24.392 1.00 0.00 O ATOM 1713 CB PHE B 43 10.541 16.892 24.141 1.00 0.00 C ATOM 1714 CG PHE B 43 9.749 15.611 23.963 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.972 14.523 24.831 1.00 0.00 C ATOM 1716 CD2 PHE B 43 8.755 15.518 22.967 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.202 13.352 24.708 1.00 0.00 C ATOM 1718 CE2 PHE B 43 7.984 14.348 22.849 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.206 13.268 23.723 1.00 0.00 C ATOM 0 H PHE B 43 8.574 18.963 24.160 1.00 0.00 H new ATOM 0 HA PHE B 43 9.966 17.324 26.176 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.576 17.420 23.188 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.568 16.638 24.403 1.00 0.00 H new ATOM 0 HD1 PHE B 43 10.736 14.588 25.592 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.586 16.346 22.294 1.00 0.00 H new ATOM 0 HE1 PHE B 43 9.377 12.518 25.371 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.221 14.278 22.087 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.609 12.372 23.636 1.00 0.00 H new ATOM 1729 N PRO B 44 11.332 19.407 26.602 1.00 0.00 N ATOM 1730 CA PRO B 44 12.207 20.550 26.841 1.00 0.00 C ATOM 1731 C PRO B 44 13.635 20.306 26.324 1.00 0.00 C ATOM 1732 O PRO B 44 14.137 19.176 26.310 1.00 0.00 O ATOM 1733 CB PRO B 44 12.177 20.772 28.356 1.00 0.00 C ATOM 1734 CG PRO B 44 11.951 19.370 28.908 1.00 0.00 C ATOM 1735 CD PRO B 44 11.060 18.713 27.856 1.00 0.00 C ATOM 0 HA PRO B 44 11.865 21.432 26.299 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.111 21.202 28.719 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.378 21.453 28.648 1.00 0.00 H new ATOM 0 HG2 PRO B 44 12.890 18.831 29.032 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.467 19.396 29.884 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.281 17.649 27.768 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.008 18.799 28.128 1.00 0.00 H new ATOM 1743 N GLY B 45 14.298 21.380 25.905 1.00 0.00 N ATOM 1744 CA GLY B 45 15.707 21.390 25.490 1.00 0.00 C ATOM 1745 C GLY B 45 15.984 20.836 24.086 1.00 0.00 C ATOM 1746 O GLY B 45 17.144 20.593 23.746 1.00 0.00 O ATOM 0 H GLY B 45 13.860 22.299 25.841 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.075 22.415 25.537 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.285 20.811 26.211 1.00 0.00 H new ATOM 1750 N LEU B 46 14.948 20.627 23.267 1.00 0.00 N ATOM 1751 CA LEU B 46 15.055 20.187 21.868 1.00 0.00 C ATOM 1752 C LEU B 46 14.731 21.305 20.860 1.00 0.00 C ATOM 1753 O LEU B 46 14.105 22.313 21.195 1.00 0.00 O ATOM 1754 CB LEU B 46 14.160 18.948 21.632 1.00 0.00 C ATOM 1755 CG LEU B 46 14.460 17.721 22.517 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.583 16.548 22.078 1.00 0.00 C ATOM 1757 CD2 LEU B 46 15.915 17.251 22.425 1.00 0.00 C ATOM 0 H LEU B 46 13.982 20.763 23.566 1.00 0.00 H new ATOM 0 HA LEU B 46 16.096 19.916 21.694 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.121 19.239 21.788 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.254 18.650 20.588 1.00 0.00 H new ATOM 0 HG LEU B 46 14.258 18.031 23.542 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.795 15.681 22.704 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.533 16.821 22.180 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.795 16.305 21.037 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.059 16.385 23.071 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.145 16.977 21.395 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.578 18.056 22.743 1.00 0.00 H new ATOM 1769 N ALA B 47 15.125 21.077 19.607 1.00 0.00 N ATOM 1770 CA ALA B 47 14.762 21.826 18.406 1.00 0.00 C ATOM 1771 C ALA B 47 14.517 20.862 17.223 1.00 0.00 C ATOM 1772 O ALA B 47 14.916 19.694 17.271 1.00 0.00 O ATOM 1773 CB ALA B 47 15.871 22.845 18.097 1.00 0.00 C ATOM 0 H ALA B 47 15.754 20.304 19.390 1.00 0.00 H new ATOM 0 HA ALA B 47 13.832 22.369 18.572 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.608 23.409 17.202 1.00 0.00 H new ATOM 0 HB2 ALA B 47 15.980 23.530 18.938 1.00 0.00 H new ATOM 0 HB3 ALA B 47 16.812 22.320 17.932 1.00 0.00 H new ATOM 1779 N ILE B 48 13.858 21.322 16.156 1.00 0.00 N ATOM 1780 CA ILE B 48 13.621 20.509 14.949 1.00 0.00 C ATOM 1781 C ILE B 48 14.901 20.480 14.091 1.00 0.00 C ATOM 1782 O ILE B 48 15.453 21.530 13.752 1.00 0.00 O ATOM 1783 CB ILE B 48 12.394 21.014 14.155 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.136 21.119 15.054 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.123 20.073 12.967 1.00 0.00 C ATOM 1786 CD1 ILE B 48 9.931 21.770 14.366 1.00 0.00 C ATOM 0 H ILE B 48 13.473 22.265 16.099 1.00 0.00 H new ATOM 0 HA ILE B 48 13.386 19.488 15.248 1.00 0.00 H new ATOM 0 HB ILE B 48 12.617 22.015 13.785 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.855 20.120 15.387 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.386 21.693 15.946 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.258 20.431 12.409 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.994 20.053 12.312 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.925 19.067 13.337 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.092 21.807 15.060 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.191 22.783 14.058 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.652 21.184 13.490 1.00 0.00 H new ATOM 1798 N GLY B 49 15.390 19.281 13.763 1.00 0.00 N ATOM 1799 CA GLY B 49 16.649 19.067 13.035 1.00 0.00 C ATOM 1800 C GLY B 49 16.459 18.849 11.534 1.00 0.00 C ATOM 1801 O GLY B 49 16.905 19.666 10.727 1.00 0.00 O ATOM 0 H GLY B 49 14.913 18.411 14.000 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.299 19.928 13.189 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.161 18.202 13.457 1.00 0.00 H new ATOM 1805 N ARG B 50 15.801 17.748 11.149 1.00 0.00 N ATOM 1806 CA ARG B 50 15.617 17.334 9.741 1.00 0.00 C ATOM 1807 C ARG B 50 14.241 16.704 9.498 1.00 0.00 C ATOM 1808 O ARG B 50 13.657 16.113 10.405 1.00 0.00 O ATOM 1809 CB ARG B 50 16.741 16.382 9.284 1.00 0.00 C ATOM 1810 CG ARG B 50 18.164 16.940 9.479 1.00 0.00 C ATOM 1811 CD ARG B 50 19.232 16.077 8.792 1.00 0.00 C ATOM 1812 NE ARG B 50 20.593 16.579 9.063 1.00 0.00 N ATOM 1813 CZ ARG B 50 21.381 16.279 10.079 1.00 0.00 C ATOM 1814 NH1 ARG B 50 21.025 15.434 11.009 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 22.559 16.820 10.187 1.00 0.00 N ATOM 0 H ARG B 50 15.372 17.105 11.814 1.00 0.00 H new ATOM 0 HA ARG B 50 15.671 18.241 9.139 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.653 15.445 9.833 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.597 16.148 8.229 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.211 17.954 9.083 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.383 17.004 10.545 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.147 15.047 9.140 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.055 16.066 7.717 1.00 0.00 H new ATOM 0 HE ARG B 50 20.971 17.238 8.382 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.112 14.982 10.965 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.660 15.226 11.780 1.00 0.00 H new ATOM 0 HH21 ARG B 50 22.882 17.483 9.483 1.00 0.00 H new ATOM 0 HH22 ARG B 50 23.160 16.581 10.976 1.00 0.00 H new ATOM 1829 N VAL B 51 13.720 16.842 8.280 1.00 0.00 N ATOM 1830 CA VAL B 51 12.333 16.541 7.893 1.00 0.00 C ATOM 1831 C VAL B 51 12.318 15.883 6.514 1.00 0.00 C ATOM 1832 O VAL B 51 12.600 16.534 5.507 1.00 0.00 O ATOM 1833 CB VAL B 51 11.483 17.826 7.878 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.014 17.511 7.550 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.541 18.584 9.208 1.00 0.00 C ATOM 0 H VAL B 51 14.276 17.183 7.495 1.00 0.00 H new ATOM 0 HA VAL B 51 11.903 15.856 8.624 1.00 0.00 H new ATOM 0 HB VAL B 51 11.910 18.461 7.102 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.436 18.435 7.546 1.00 0.00 H new ATOM 0 HG12 VAL B 51 9.953 17.040 6.569 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.610 16.834 8.303 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.925 19.481 9.143 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.168 17.945 10.008 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.572 18.867 9.421 1.00 0.00 H new ATOM 1845 N ASP B 52 11.976 14.600 6.460 1.00 0.00 N ATOM 1846 CA ASP B 52 11.912 13.808 5.232 1.00 0.00 C ATOM 1847 C ASP B 52 10.451 13.567 4.827 1.00 0.00 C ATOM 1848 O ASP B 52 9.802 12.657 5.344 1.00 0.00 O ATOM 1849 CB ASP B 52 12.672 12.479 5.430 1.00 0.00 C ATOM 1850 CG ASP B 52 14.161 12.611 5.793 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.715 11.641 6.367 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.799 13.648 5.491 1.00 0.00 O1- ATOM 0 H ASP B 52 11.728 14.065 7.292 1.00 0.00 H new ATOM 0 HA ASP B 52 12.391 14.357 4.421 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.174 11.910 6.216 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.591 11.895 4.513 1.00 0.00 H new ATOM 1857 N LEU B 53 9.935 14.336 3.865 1.00 0.00 N ATOM 1858 CA LEU B 53 8.636 14.061 3.234 1.00 0.00 C ATOM 1859 C LEU B 53 8.702 12.761 2.413 1.00 0.00 C ATOM 1860 O LEU B 53 7.760 11.963 2.405 1.00 0.00 O ATOM 1861 CB LEU B 53 8.192 15.239 2.339 1.00 0.00 C ATOM 1862 CG LEU B 53 8.008 16.628 2.975 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.172 16.567 4.253 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.321 17.365 3.253 1.00 0.00 C ATOM 0 H LEU B 53 10.403 15.166 3.500 1.00 0.00 H new ATOM 0 HA LEU B 53 7.896 13.939 4.025 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.924 15.338 1.537 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.246 14.961 1.874 1.00 0.00 H new ATOM 0 HG LEU B 53 7.471 17.204 2.221 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.068 17.570 4.668 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.185 16.165 4.023 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.666 15.923 4.980 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.106 18.335 3.701 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.931 16.776 3.938 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.862 17.509 2.318 1.00 0.00 H new ATOM 1876 N ARG B 54 9.865 12.519 1.795 1.00 0.00 N ATOM 1877 CA ARG B 54 10.220 11.302 1.046 1.00 0.00 C ATOM 1878 C ARG B 54 10.150 10.005 1.874 1.00 0.00 C ATOM 1879 O ARG B 54 9.881 8.942 1.312 1.00 0.00 O ATOM 1880 CB ARG B 54 11.624 11.540 0.472 1.00 0.00 C ATOM 1881 CG ARG B 54 12.121 10.428 -0.464 1.00 0.00 C ATOM 1882 CD ARG B 54 13.423 10.836 -1.175 1.00 0.00 C ATOM 1883 NE ARG B 54 14.483 11.285 -0.242 1.00 0.00 N ATOM 1884 CZ ARG B 54 15.371 10.542 0.392 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.396 9.243 0.280 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 16.255 11.099 1.162 1.00 0.00 N ATOM 0 H ARG B 54 10.624 13.200 1.803 1.00 0.00 H new ATOM 0 HA ARG B 54 9.484 11.139 0.258 1.00 0.00 H new ATOM 0 HB2 ARG B 54 11.626 12.485 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG B 54 12.328 11.646 1.297 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.287 9.515 0.108 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.354 10.204 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.793 9.990 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.207 11.637 -1.882 1.00 0.00 H new ATOM 0 HE ARG B 54 14.532 12.289 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.714 8.769 -0.313 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.097 8.701 0.785 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.264 12.112 1.278 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.940 10.523 1.651 1.00 0.00 H new ATOM 1900 N SER B 55 10.361 10.085 3.197 1.00 0.00 N ATOM 1901 CA SER B 55 10.415 8.914 4.110 1.00 0.00 C ATOM 1902 C SER B 55 9.384 8.924 5.254 1.00 0.00 C ATOM 1903 O SER B 55 9.203 7.904 5.916 1.00 0.00 O ATOM 1904 CB SER B 55 11.825 8.765 4.701 1.00 0.00 C ATOM 1905 OG SER B 55 12.800 8.644 3.672 1.00 0.00 O ATOM 0 H SER B 55 10.502 10.974 3.677 1.00 0.00 H new ATOM 0 HA SER B 55 10.156 8.061 3.483 1.00 0.00 H new ATOM 0 HB2 SER B 55 12.055 9.629 5.325 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.862 7.887 5.346 1.00 0.00 H new ATOM 0 HG SER B 55 13.689 8.552 4.073 1.00 0.00 H new ATOM 1911 N GLY B 56 8.702 10.051 5.503 1.00 0.00 N ATOM 1912 CA GLY B 56 7.729 10.215 6.589 1.00 0.00 C ATOM 1913 C GLY B 56 8.369 10.297 7.982 1.00 0.00 C ATOM 1914 O GLY B 56 7.884 9.653 8.914 1.00 0.00 O ATOM 0 H GLY B 56 8.816 10.894 4.940 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.148 11.120 6.411 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.030 9.379 6.568 1.00 0.00 H new ATOM 1918 N VAL B 57 9.461 11.052 8.141 1.00 0.00 N ATOM 1919 CA VAL B 57 10.223 11.165 9.407 1.00 0.00 C ATOM 1920 C VAL B 57 10.554 12.620 9.760 1.00 0.00 C ATOM 1921 O VAL B 57 10.972 13.392 8.898 1.00 0.00 O ATOM 1922 CB VAL B 57 11.511 10.305 9.372 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.286 10.368 10.694 1.00 0.00 C ATOM 1924 CG2 VAL B 57 11.207 8.827 9.103 1.00 0.00 C ATOM 0 H VAL B 57 9.854 11.614 7.386 1.00 0.00 H new ATOM 0 HA VAL B 57 9.575 10.779 10.193 1.00 0.00 H new ATOM 0 HB VAL B 57 12.109 10.725 8.563 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.181 9.750 10.621 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.573 11.399 10.898 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.655 10.000 11.503 1.00 0.00 H new ATOM 0 HG21 VAL B 57 12.138 8.261 9.087 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.560 8.439 9.890 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.706 8.728 8.140 1.00 0.00 H new ATOM 1934 N ILE B 58 10.399 12.979 11.038 1.00 0.00 N ATOM 1935 CA ILE B 58 10.781 14.273 11.630 1.00 0.00 C ATOM 1936 C ILE B 58 11.788 14.014 12.768 1.00 0.00 C ATOM 1937 O ILE B 58 11.441 13.437 13.797 1.00 0.00 O ATOM 1938 CB ILE B 58 9.533 15.050 12.116 1.00 0.00 C ATOM 1939 CG1 ILE B 58 8.525 15.313 10.972 1.00 0.00 C ATOM 1940 CG2 ILE B 58 9.960 16.390 12.753 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.129 15.727 11.460 1.00 0.00 C ATOM 0 H ILE B 58 9.984 12.348 11.724 1.00 0.00 H new ATOM 0 HA ILE B 58 11.257 14.902 10.878 1.00 0.00 H new ATOM 0 HB ILE B 58 9.033 14.428 12.859 1.00 0.00 H new ATOM 0 HG12 ILE B 58 8.920 16.096 10.325 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.435 14.412 10.365 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.076 16.930 13.092 1.00 0.00 H new ATOM 0 HG22 ILE B 58 10.615 16.197 13.603 1.00 0.00 H new ATOM 0 HG23 ILE B 58 10.491 16.991 12.015 1.00 0.00 H new ATOM 0 HD11 ILE B 58 6.478 15.894 10.602 1.00 0.00 H new ATOM 0 HD12 ILE B 58 6.712 14.936 12.083 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.205 16.645 12.042 1.00 0.00 H new ATOM 1953 N SER B 59 13.044 14.420 12.578 1.00 0.00 N ATOM 1954 CA SER B 59 14.150 14.199 13.522 1.00 0.00 C ATOM 1955 C SER B 59 14.422 15.438 14.374 1.00 0.00 C ATOM 1956 O SER B 59 14.608 16.538 13.847 1.00 0.00 O ATOM 1957 CB SER B 59 15.401 13.767 12.746 1.00 0.00 C ATOM 1958 OG SER B 59 16.465 13.493 13.641 1.00 0.00 O ATOM 0 H SER B 59 13.332 14.926 11.741 1.00 0.00 H new ATOM 0 HA SER B 59 13.868 13.404 14.212 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.180 12.881 12.151 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.695 14.553 12.050 1.00 0.00 H new ATOM 0 HG SER B 59 17.257 13.217 13.133 1.00 0.00 H new ATOM 1964 N LEU B 60 14.442 15.264 15.696 1.00 0.00 N ATOM 1965 CA LEU B 60 14.689 16.312 16.691 1.00 0.00 C ATOM 1966 C LEU B 60 16.141 16.239 17.212 1.00 0.00 C ATOM 1967 O LEU B 60 16.742 15.161 17.289 1.00 0.00 O ATOM 1968 CB LEU B 60 13.677 16.185 17.848 1.00 0.00 C ATOM 1969 CG LEU B 60 12.221 16.630 17.572 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.565 15.991 16.349 1.00 0.00 C ATOM 1971 CD2 LEU B 60 11.360 16.306 18.793 1.00 0.00 C ATOM 0 H LEU B 60 14.280 14.351 16.122 1.00 0.00 H new ATOM 0 HA LEU B 60 14.556 17.286 16.220 1.00 0.00 H new ATOM 0 HB2 LEU B 60 13.656 15.142 18.165 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.053 16.766 18.690 1.00 0.00 H new ATOM 0 HG LEU B 60 12.281 17.699 17.366 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.548 16.368 16.243 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.139 16.240 15.457 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.539 14.908 16.474 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.332 16.617 18.606 1.00 0.00 H new ATOM 0 HD22 LEU B 60 11.386 15.233 18.982 1.00 0.00 H new ATOM 0 HD23 LEU B 60 11.747 16.837 19.663 1.00 0.00 H new ATOM 1983 N ILE B 61 16.689 17.394 17.604 1.00 0.00 N ATOM 1984 CA ILE B 61 18.087 17.579 18.054 1.00 0.00 C ATOM 1985 C ILE B 61 18.167 18.421 19.335 1.00 0.00 C ATOM 1986 O ILE B 61 17.246 19.167 19.651 1.00 0.00 O ATOM 1987 CB ILE B 61 18.954 18.193 16.931 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.512 19.620 16.537 1.00 0.00 C ATOM 1989 CG2 ILE B 61 18.982 17.272 15.697 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.474 20.691 17.056 1.00 0.00 C ATOM 0 H ILE B 61 16.156 18.264 17.620 1.00 0.00 H new ATOM 0 HA ILE B 61 18.486 16.592 18.290 1.00 0.00 H new ATOM 0 HB ILE B 61 19.963 18.280 17.333 1.00 0.00 H new ATOM 0 HG12 ILE B 61 18.445 19.690 15.451 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.514 19.810 16.931 1.00 0.00 H new ATOM 0 HG21 ILE B 61 19.598 17.724 14.920 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.400 16.304 15.975 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.968 17.135 15.322 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.120 21.676 16.753 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.521 20.641 18.144 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.467 20.519 16.641 1.00 0.00 H new ATOM 2002 N GLU B 62 19.261 18.301 20.088 1.00 0.00 N ATOM 2003 CA GLU B 62 19.464 19.037 21.350 1.00 0.00 C ATOM 2004 C GLU B 62 19.801 20.518 21.104 1.00 0.00 C ATOM 2005 O GLU B 62 20.759 20.843 20.398 1.00 0.00 O ATOM 2006 CB GLU B 62 20.573 18.374 22.184 1.00 0.00 C ATOM 2007 CG GLU B 62 20.189 16.966 22.671 1.00 0.00 C ATOM 2008 CD GLU B 62 21.218 16.388 23.662 1.00 0.00 C ATOM 2009 OE1 GLU B 62 22.446 16.512 23.424 1.00 0.00 O ATOM 2010 OE2 GLU B 62 20.808 15.769 24.673 1.00 0.00 O1- ATOM 0 H GLU B 62 20.039 17.689 19.844 1.00 0.00 H new ATOM 0 HA GLU B 62 18.526 18.999 21.903 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.483 18.312 21.587 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.799 19.003 23.045 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.210 17.004 23.148 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.100 16.299 21.813 1.00 0.00 H new